Geometry & MOs

Info

ID:	343948
PubChem CID:	127267124
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	346.075211
ΔH_f, kcal/mol:	-16.6
Dipole, Da:	3.55
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CC(C2)CN(C)C

DOS

IR

Vibrations