Geometry & MOs

Info

ID:	187584
PubChem CID:	77594032
Reduced:	FO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	6.54
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-3-[(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)NC2=CC=CC(=C2)CC3=C4CCCCC4C(=O)N=N3

DOS

IR

Vibrations