Geometry & MOs

Info

ID:	367177
PubChem CID:	127323939
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	3.91
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNC(=O)NC3CCN(C3)C4CC4)Cl)OC1

DOS

IR

Vibrations