Geometry & MOs

Info

ID:	196500
PubChem CID:	78838928
Reduced:	OF4N5H15C18 (1)
Stoich.:	AB4C5D15E18 (1)
Weight, g/mol:	284.107339
ΔH_f, kcal/mol:	-160.79
Dipole, Da:	2.1
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-4-fluorophenyl)-3-(1-pyridin-4-ylethyl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)F)C#N

DOS

IR

Vibrations