Geometry & MOs

Info

ID:	192634
PubChem CID:	78294648
Reduced:	N5O6C16H19 (1)
Stoich.:	A5B6C16D19 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	9.14
IP(EA), eV:	-9.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-3H-quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)C=CC2C(C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations