Geometry & MOs

Info

ID:	272659
PubChem CID:	103750766
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	5.09
IP(EA), eV:	-10.19(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-hydroxy-4-methylpentan-3-yl)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1(CCC1)C#N

DOS

IR

Vibrations