Geometry & MOs

Info

ID:	133212
PubChem CID:	51494062
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	1.47
IP(EA), eV:	-8.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(N2)[C@H]3CCCN3C(=O)CN4C=NC5=CC=CC=C5C4=O

DOS

IR

Vibrations