Geometry & MOs

Info

ID:	193843
PubChem CID:	78446354
Reduced:	O3N6C19H23 (1)
Stoich.:	A3B6C19D23 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	61.8
Dipole, Da:	9.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752200
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations