Geometry & MOs

Info

ID:	131222
PubChem CID:	51177191
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	3.2
Dipole, Da:	5.44
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCC2=CC=CC=C12)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations