Geometry & MOs

Info

ID:	322386
PubChem CID:	126669975
Reduced:	BrFOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	356.098391
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	3.24
IP(EA), eV:	-9.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-hydroxyphenyl)methyl]-3-[2-methoxy-5-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)C(COC)(C1=CC=C(C=C1)Br)F

DOS

IR

Vibrations