Geometry & MOs

Info

ID:	50016
PubChem CID:	11538767
Reduced:	BrN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	409.084967
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	11.27
IP(EA), eV:	-8.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CC(C)NC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations