Geometry & MOs

Info

ID:	180685
PubChem CID:	76668993
Reduced:	ClON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	352.101032
ΔH_f, kcal/mol:	30.96
Dipole, Da:	8.24
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-5-methylpyrrolidin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)C=C(C2C(=C1)N)Cl

DOS

IR

Vibrations