Geometry & MOs

Info

ID:	35347
PubChem CID:	7979732
Reduced:	ClNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	3.45
IP(EA), eV:	-9.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-hydroxy-4-methylphenyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations