Geometry & MOs

Info

ID:	142775
PubChem CID:	53090801
Reduced:	ClO2N5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	487.25834
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	9.68
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=C(C=C1)Cl)C)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

DOS

IR

Vibrations