Geometry & MOs

Info

ID:	30523
PubChem CID:	841448
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	41.82
Dipole, Da:	5.96
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methylphenyl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NN=CC2=CC=CC=C2

DOS

IR

Vibrations