Geometry & MOs

Info

ID:	155171
PubChem CID:	56320911
Reduced:	O2F3N5H18C19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	423.18821
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	6.85
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CCNC(=O)NC3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations