Geometry & MOs

Info

ID:	120828
PubChem CID:	50746271
Reduced:	O3N7H19C22 (1)
Stoich.:	A3B7C19D22 (1)
Weight, g/mol:	381.14887
ΔH_f, kcal/mol:	130.76
Dipole, Da:	10.21
IP(EA), eV:	-8.67(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=NN4C=NN=C4C=C3)C5=CC(=C(C=C5)OCC#C)OC

DOS

IR

Vibrations