Geometry & MOs

Info

ID:	141276
PubChem CID:	52851725
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	7.22
Dipole, Da:	5.89
IP(EA), eV:	-8.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

CCCN(C)C1=CC=C(C=C1)C(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4N3CC

DOS

IR

Vibrations