Geometry & MOs

Info

ID:	125209
PubChem CID:	50915261
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	4.15
IP(EA), eV:	-9.05(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-phenyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](CCN[C@@H]1C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations