Geometry & MOs

Info

ID:	142772
PubChem CID:	53090157
Reduced:	ClO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	449.161853
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	3.0
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=N2)CCNC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations