Geometry & MOs

Info

ID:	126811
PubChem CID:	50979932
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	371.149458
ΔH_f, kcal/mol:	24.88
Dipole, Da:	7.43
IP(EA), eV:	-7.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-4-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C3C=C4CN(CCN4N3)C(=O)C5CCCO5)N=C2C=C1C

DOS

IR

Vibrations