Geometry & MOs

Info

ID:	273272
PubChem CID:	103770803
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	4.58
IP(EA), eV:	-9.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)pent-4-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC)O

DOS

IR

Vibrations