Geometry & MOs

Info

ID:	149200
PubChem CID:	53788872
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	355.179696
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	4.05
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C=CC1=C2C(=CC=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)OC

DOS

IR

Vibrations