Geometry & MOs

Info

ID:	180681
PubChem CID:	76668989
Reduced:	ClON2F3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	318.074675
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	4.62
IP(EA), eV:	-9.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-isocyanophenyl)-5-methylpyrrolidin-2-yl]-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)[N+]#[C-])N2CCCC2C(C(F)(F)F)O

DOS

IR

Vibrations