Geometry & MOs

Info

ID:	152193
PubChem CID:	56311070
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	442.185235
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	4.76
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations