Geometry & MOs

Info

ID:	412896
PubChem CID:	135085832
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	331.98105
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	1.44
IP(EA), eV:	-9.39(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-phenylphthalazine

Drug info:

PubChemData

Smile

CC1(COC(=N1)CC(C)(C)C2=CC=CC=C2)C

DOS

IR

Vibrations