Geometry & MOs

Info

ID:	62897
PubChem CID:	26737529
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	472.219609
ΔH_f, kcal/mol:	-5.98
Dipole, Da:	4.44
IP(EA), eV:	-8.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-ethoxy-5-methoxy-2-nitro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)NNC(=O)CCN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations