Geometry & MOs

Info

ID:	367309
PubChem CID:	127324088
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	4.68
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations