Geometry & MOs

Info

ID:	196107
PubChem CID:	78782418
Reduced:	OCl3N3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	2.24
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)NC(=O)CNC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations