Geometry & MOs

Info

ID:	348299
PubChem CID:	127273364
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-29.05
Dipole, Da:	8.26
IP(EA), eV:	-9.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-methylsulfonyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NC2CCC3=NC(=NN3C2)C)C)C#N

DOS

IR

Vibrations