Geometry & MOs

Info

ID:	393919
PubChem CID:	135021958
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	66.42
Dipole, Da:	9.74
IP(EA), eV:	-8.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methoxyphenyl)methyl]-7-methyl-2-[3-(methylamino)propyl]-3H-pyrrolo[3,2-e]indole-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(N1CC3=CC=C(C=C3)OC)C=CC(=C2/C(=C/4\CCCN4C)/[N+]#[C-])[N+](=O)[O-]

DOS

IR

Vibrations