Geometry & MOs

Info

ID:	29136
PubChem CID:	831828
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	4.59
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations