Geometry & MOs

Info

ID:	120826
PubChem CID:	50746268
Reduced:	O2N7H23C26 (1)
Stoich.:	A2B7C23D26 (1)
Weight, g/mol:	431.170588
ΔH_f, kcal/mol:	121.9
Dipole, Da:	10.06
IP(EA), eV:	-9.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-4-prop-2-enoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC=C2C3CC(=O)N=C4C3=C(NN4C5=NN6C=NN=C6C=C5)C

DOS

IR

Vibrations