Geometry & MOs

Info

ID:	367231
PubChem CID:	127324006
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	2.55
IP(EA), eV:	-8.98(-0.18)
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-phenylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)CNC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations