Geometry & MOs

Info

ID:	273742
PubChem CID:	103799502
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-157.94
Dipole, Da:	4.41
IP(EA), eV:	-9.97(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)pent-4-enamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)COC1=CC=CC(=C1)[N+](=O)[O-]

DOS

IR

Vibrations