Geometry & MOs

Info

ID:	291431
PubChem CID:	112378999
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	6.56
IP(EA), eV:	-9.18(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-3-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)NC(C)C(CC2=CC=CC=C2)O

DOS

IR

Vibrations