Geometry & MOs

Info

ID:	273521
PubChem CID:	103771288
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-175.49
Dipole, Da:	2.56
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations