Geometry & MOs

Info

ID:	141943
PubChem CID:	52955514
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	515.199111
ΔH_f, kcal/mol:	112.1
Dipole, Da:	3.29
IP(EA), eV:	-8.92(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4H-phthalazin-1-ylidene]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=C2C3C=CC=CC3=C(N=N2)C4=CC=C(C=C4)O

DOS

IR

Vibrations