Geometry & MOs

Info

ID:

316593

PubChem CID:

126631284

Reduced:

N2H30C41 (1)

Stoich.:

A2B30C41 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

171.77

Dipole, Da:

2.27

IP(EA), eV:

 -8.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-yl)phenyl]aniline

Drug info:

PubChemData

Smile

CN1C2=C(C3=C1C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=CC=C8C=C2

DOS

IR

Vibrations