Geometry & MOs

Info

ID:	66261
PubChem CID:	46501216
Reduced:	ClN4O4H17C21 (1)
Stoich.:	AB4C4D17E21 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-7.59
Dipole, Da:	3.79
IP(EA), eV:	-8.77(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)methylideneamino]-N'-octanoylbenzohydrazide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations