Geometry & MOs

Info

ID:	130194
PubChem CID:	51075210
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	12.87
Dipole, Da:	2.35
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)/C=C/C(=O)N2CCCC2C3=CC=CC=C3

DOS

IR

Vibrations