Geometry & MOs

Info

ID:	71023
PubChem CID:	48414192
Reduced:	N2O2H8C9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	1.7
Dipole, Da:	12.66
IP(EA), eV:	-9.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-cyclopropyl-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations