Geometry & MOs

Info

ID:	187582
PubChem CID:	77594030
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	463.189592
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	6.16
IP(EA), eV:	-7.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CC3C4CCCCC4C(=O)NN3

DOS

IR

Vibrations