Geometry & MOs

Info

ID:	38101
PubChem CID:	8027024
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	368.127326
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	10.01
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzhydrylideneamino)-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations