Geometry & MOs

Info

ID:	180686
PubChem CID:	76668994
Reduced:	ON2F6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	338.085382
ΔH_f, kcal/mol:	-302.26
Dipole, Da:	6.74
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1CCC(N1C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F)C(C(F)(F)F)O

DOS

IR

Vibrations