Geometry & MOs

Info

ID:	180682
PubChem CID:	76668990
Reduced:	ClON2F3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	304.059025
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	6.22
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-isocyanophenyl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations