Geometry & MOs

Info

ID:	323448
PubChem CID:	126674847
Reduced:	O3N4H22C32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	371.107005
ΔH_f, kcal/mol:	61.7
Dipole, Da:	10.32
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyanophenoxy)-4-fluorophenyl]-3-(3-ethynylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC3=C2C=C(C=C3)OC4=CC=C(C=C4)C#N)OC5=CC=C(C=C5)C#N

DOS

IR

Vibrations