Geometry & MOs

Info

ID:	175686
PubChem CID:	75937431
Reduced:	BrN2O2F3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	338.10089
ΔH_f, kcal/mol:	-232.66
Dipole, Da:	6.36
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(COCC(F)(F)F)NC(=O)N(C)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations