Geometry & MOs

Info

ID:	152980
PubChem CID:	56312085
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	481.232519
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	5.78
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations