Geometry & MOs

Info

ID:	323446
PubChem CID:	126674843
Reduced:	ClNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	489.18009
ΔH_f, kcal/mol:	5.07
Dipole, Da:	6.57
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyano-3-methylphenoxy)-4-methylphenyl]-3-[3-(6-cyanopyridin-3-yl)oxy-4-methylphenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)OC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations