Geometry & MOs

Info

ID:	305770
PubChem CID:	124968799
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	4.59
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CC(=O)N2CC[C@](C2)(CN(C)C)O

DOS

IR

Vibrations