Geometry & MOs

Info

ID:	323397
PubChem CID:	126674691
Reduced:	OF5N7H22C25 (1)
Stoich.:	AB5C7D22E25 (1)
Weight, g/mol:	522.991
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	3.45
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-bromo-4-cyanophenoxy)-4-methylphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C=NCCCN1CC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=C(C(=CC(=C5F)F)F)F)F)N

DOS

IR

Vibrations