Geometry & MOs

Info

ID:	380532
PubChem CID:	134971012
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	2.36
IP(EA), eV:	-9.15(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1CCC(O1)CC2=CC=CC=C2

DOS

IR

Vibrations