Geometry & MOs

Info

ID:	141951
PubChem CID:	52956607
Reduced:	N5H21C28 (1)
Stoich.:	A5B21C28 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	204.07
Dipole, Da:	5.66
IP(EA), eV:	-8.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4H-phthalazin-1-imine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N=C4C5C=CC=CC5=C(N=N4)C6=CC=CC=C6

DOS

IR

Vibrations