Geometry & MOs

Info

ID:	36283
PubChem CID:	8000705
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	372.118453
ΔH_f, kcal/mol:	30.92
Dipole, Da:	1.15
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-methyl-6-phenyl-1-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations