Geometry & MOs

Info

ID:	328519
PubChem CID:	126724121
Reduced:	OSN5H21C23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	109.9
Dipole, Da:	4.23
IP(EA), eV:	-8.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)N/C(=C\4/C(=NC)SC=N4)/N=C

DOS

IR

Vibrations