Geometry & MOs

Info

ID:	151808
PubChem CID:	56310618
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	4.2
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N'-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

DOS

IR

Vibrations