Geometry & MOs

Info

ID:	142776
PubChem CID:	53090872
Reduced:	O3N5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CNC(=O)C(CC)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

DOS

IR

Vibrations