Geometry & MOs

Info

ID:	137934
PubChem CID:	52286975
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	4.41
IP(EA), eV:	-9.47(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(propanoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCCN(C1)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations