Geometry & MOs

Info

ID:	394913
PubChem CID:	135024128
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	2.51
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (9S,9aR)-9-(6-methoxypyridin-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydroquinolizine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N2C=CCC(=C2C1=O)COCC3=CC=CC=C3

DOS

IR

Vibrations