Geometry & MOs

Info

ID:	142774
PubChem CID:	53090800
Reduced:	ClO4N5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	449.161853
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	12.14
IP(EA), eV:	-8.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

DOS

IR

Vibrations