Geometry & MOs

Info

ID:	142773
PubChem CID:	53090799
Reduced:	ClO2N5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	495.167332
ΔH_f, kcal/mol:	6.04
Dipole, Da:	8.95
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)Cl)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

DOS

IR

Vibrations