Geometry & MOs

Info

ID:	41151
PubChem CID:	8145366
Reduced:	N4O4C23H33 (1)
Stoich.:	A4B4C23D33 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	11.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772897
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-N-(4-acetamidophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)[C@@H]4CCCC[C@H]4C

DOS

IR

Vibrations