Geometry & MOs

Info

ID:	26610
PubChem CID:	793506
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-23.39
Dipole, Da:	4.3
IP(EA), eV:	-9.35(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations