Geometry & MOs

Info

ID:	142777
PubChem CID:	53090923
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	9.85
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C3=CC=CC=C3)C(=NN(C2=O)C(C)C(=O)NCC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations