Geometry & MOs

Info

ID:	152415
PubChem CID:	56311341
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	446.135698
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	6.5
IP(EA), eV:	-8.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations