Geometry & MOs

Info

ID:	152291
PubChem CID:	56311191
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	444.156433
ΔH_f, kcal/mol:	-129.48
Dipole, Da:	6.19
IP(EA), eV:	-8.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations