Geometry & MOs

Info

ID:	155170
PubChem CID:	56320909
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	405.141259
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	6.48
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-phenylpyrazol-3-yl)ethyl]-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC(=CC=C2)OCC3=CC=CC=N3)CCC4=CC=NC=C4

DOS

IR

Vibrations