Geometry & MOs

Info

ID:	120788
PubChem CID:	50744424
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	480.212118
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	3.13
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations