Geometry & MOs

Info

ID:	352098
PubChem CID:	127283166
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-146.22
Dipole, Da:	3.01
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(3-propan-2-ylcyclohexyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NCC(C2=CC(=CC=C2)Cl)N3CCOCC3)O

DOS

IR

Vibrations