Geometry & MOs

Info

ID:	39794
PubChem CID:	8142320
Reduced:	FNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	3.43
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3F

DOS

IR

Vibrations