Geometry & MOs

Info

ID:	342816
PubChem CID:	127265979
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	321.140117
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	5.23
IP(EA), eV:	-8.39(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC(=C3C(=C2)C=CC=N3)OC

DOS

IR

Vibrations