Geometry & MOs

Info

ID:	365884
PubChem CID:	127319135
Reduced:	O2N3F4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	-272.1
Dipole, Da:	5.01
IP(EA), eV:	-8.83(-0.68)
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-(5-phenyl-2-propan-2-ylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NC3=C(C=C(C=C3)F)OCC(F)(F)F

DOS

IR

Vibrations