Geometry & MOs

Info

ID:	72091
PubChem CID:	48415802
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	46.72
Dipole, Da:	4.18
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations