Geometry & MOs

Info

ID:	128481
PubChem CID:	51045984
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	312.023247
ΔH_f, kcal/mol:	38.62
Dipole, Da:	5.56
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)/C=C/NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations