Geometry & MOs

Info

ID:	65258
PubChem CID:	29204678
Reduced:	Cl2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	454.081075
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	5.43
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(dimethylamino)-5-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations