Geometry & MOs

Info

ID:	138107
PubChem CID:	52315368
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	374.199428
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.42
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC(=C1)CNC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations