Geometry & MOs

Info

ID:

298154

PubChem CID:

117647779

Reduced:

SN2H36C47 (1)

Stoich.:

AB2C36D47 (1)

Weight, g/mol:

736.356597

ΔHf, kcal/mol:

168.55

Dipole, Da:

4.21

IP(EA), eV:

 -8.0(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,10,20,20-tetramethyl-N-(4-methylphenyl)-N-phenyl-7-[5-(N-phenylanilino)pyridin-2-yl]-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-17-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)SC5=CC=CC=C54)C6=C1C=C7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C(C7=N6)(C)C)C

DOS

IR

Vibrations