Geometry & MOs

Info

ID:	273539
PubChem CID:	103771328
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	4.89
IP(EA), eV:	-9.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-hydroxy-4-methylpentyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC2=C1N=CC=C2)O

DOS

IR

Vibrations