Geometry & MOs

Info

ID:	187583
PubChem CID:	77594031
Reduced:	N3O3H25C29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	391.169605
ΔH_f, kcal/mol:	4.98
Dipole, Da:	10.79
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(N=NC(=O)C2C1)CC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

DOS

IR

Vibrations