Geometry & MOs

Info

ID:	152206
PubChem CID:	56311087
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	490.08518
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	7.45
IP(EA), eV:	-8.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(C)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations