Geometry & MOs

Info

ID:	84994
PubChem CID:	49871237
Reduced:	ON3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	267.123484
ΔH_f, kcal/mol:	-51.8
Dipole, Da:	6.48
IP(EA), eV:	-8.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine

Drug info:

PubChemData

Smile

CC(C)N(C=NC1=CC=CC=C1C(=O)NC(C)(C)C)C(C)C

DOS

IR

Vibrations