Geometry & MOs

Info

ID:	391261
PubChem CID:	135003964
Reduced:	NPO5C15H24 (1)
Stoich.:	ABC5D15E24 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-261.01
Dipole, Da:	4.0
IP(EA), eV:	-9.03(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5aR,6R,11bS)-10-methyl-2-oxo-1,3,4,5,5a,6,7,11b-octahydroazepino[3,2-c]quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(C1=CC=CC=C1)P(=O)(OCC)OCC

DOS

IR

Vibrations