Geometry & MOs

Info

ID:	273347
PubChem CID:	103770945
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	3.58
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-hydroxy-4-methylpentyl)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CC1=CC=C(C=C1)O)O

DOS

IR

Vibrations