Geometry & MOs

Info

ID:	367204
PubChem CID:	127323974
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	359.193295
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	8.08
IP(EA), eV:	-9.22(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations