Geometry & MOs

Info

ID:	178515
PubChem CID:	76340561
Reduced:	O3N6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	440.099981
ΔH_f, kcal/mol:	21.0
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768982
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[2-[(1,4-dioxophthalazin-5-yl)amino]-2-oxoethyl]pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC=C(C=C2)NC(=O)C[N+]3=NC(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations