Geometry & MOs

Info

ID:	30393
PubChem CID:	841246
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	5.47
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1=CN=CC=C1)NC2=CC(=CC=C2)O

DOS

IR

Vibrations