Geometry & MOs

Info

ID:	196066
PubChem CID:	78775719
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.4
IP(EA), eV:	-8.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC(=O)COC2=C(C=C(C=C2)CC=C)OC

DOS

IR

Vibrations