Geometry & MOs

Info

ID:	133719
PubChem CID:	51580840
Reduced:	N2O3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	360.054466
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885372
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5,6-dichloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C=NCCN2CCOCC2)[O-])C

DOS

IR

Vibrations