Geometry & MOs

Info

ID:	66262
PubChem CID:	46501230
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	4.8
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-N'-[(E)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NNC(=O)C1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations