Geometry & MOs

Info

ID:	245394
PubChem CID:	99444251
Reduced:	N2O3C26H38 (1)
Stoich.:	A2B3C26D38 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	5.31
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations