Geometry & MOs

Info

ID:	358592
PubChem CID:	127296351
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	2.23
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCCSCC2

DOS

IR

Vibrations