Geometry & MOs

Info

ID:	388847
PubChem CID:	134990400
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	13.85
Dipole, Da:	3.11
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4aR,10aR)-6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2CC(C3=CC=CC=C31)NC=O

DOS

IR

Vibrations