Geometry & MOs

Info

ID:

435937

PubChem CID:

135192893

Reduced:

OPN2H25C35 (1)

Stoich.:

ABC2D25E35 (1)

Weight, g/mol:

464.221226

ΔHf, kcal/mol:

101.11

Dipole, Da:

4.04

IP(EA), eV:

 -8.4(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(6-butyl-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl)-1H-imidazol-2-yl]butan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC(=C2)C3=CN=CC=C3)C4=CC=CC(=C4)N5C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations