Geometry & MOs

Info

ID:	347000
PubChem CID:	127271504
Reduced:	FO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	5.83
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CNC(=O)NCC3=CC(=CC4=C3OCOC4)F)C1

DOS

IR

Vibrations