Geometry & MOs

Info

ID:	37757
PubChem CID:	8024139
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	3.25
IP(EA), eV:	-8.64(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations