Geometry & MOs

Info

ID:	348318
PubChem CID:	127273383
Reduced:	OSN7C14H21 (1)
Stoich.:	ABC7D14E21 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	25.35
Dipole, Da:	8.25
IP(EA), eV:	-9.24(-0.69)
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)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations