Geometry & MOs

Info

ID:	280701
PubChem CID:	103850823
Reduced:	N4O5C11H18 (1)
Stoich.:	A4B5C11D18 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	9.84
IP(EA), eV:	-10.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3,4,4-trimethylpentanamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

DOS

IR

Vibrations