Geometry & MOs

Info

ID:	329727
PubChem CID:	127246594
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	7.43
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)OC(=C4)C

DOS

IR

Vibrations