Geometry & MOs

Info

ID:	192514
PubChem CID:	78279380
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-77.9
Dipole, Da:	5.66
IP(EA), eV:	-8.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl) 2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N

DOS

IR

Vibrations