Geometry & MOs

Info

ID:	348297
PubChem CID:	127273362
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	3.19
Dipole, Da:	4.1
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CSC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations