Geometry & MOs

Info

ID:	178399
PubChem CID:	76322729
Reduced:	F3N3H16C19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	3.04
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(2-phenoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1CC2=C(C1)N=C3C(=C2N)C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations