Geometry & MOs

Info

ID:	176254
PubChem CID:	76019511
Reduced:	O2F3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	283.139528
ΔH_f, kcal/mol:	-204.48
Dipole, Da:	1.92
IP(EA), eV:	-9.79(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-4-(trifluoromethyl)hex-5-enyl]carbamate

Drug info:

PubChemData

Smile

C=CC(C(C1=CC=CO1)O)C(F)(F)F

DOS

IR

Vibrations