Geometry & MOs

Info

ID:	77616
PubChem CID:	49658407
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	4.01
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC(=C2NC1=O)C)NCC3=CC=C(C=C3)SC

DOS

IR

Vibrations