Geometry & MOs

Info

ID:	68266
PubChem CID:	46508082
Reduced:	IO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	2.26
IP(EA), eV:	-9.2(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(2-cyclohexyliminopyridine-1-carbonyl)phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

DOS

IR

Vibrations