Geometry & MOs

Info

ID:	342551
PubChem CID:	127265706
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	315.144613
ΔH_f, kcal/mol:	-73.36
Dipole, Da:	4.24
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methoxyphenyl)prop-2-enyl]-4-(trifluoromethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

CCCC(C)(CO)NC(=O)C=CC1=CC=CS1

DOS

IR

Vibrations