Geometry & MOs

Info

ID:	30502
PubChem CID:	841421
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	5.51
IP(EA), eV:	-9.23(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-ethylphenyl)ethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations