Geometry & MOs

Info

ID:	193724
PubChem CID:	78430379
Reduced:	NO5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	499.145344
ΔH_f, kcal/mol:	-188.46
Dipole, Da:	3.71
IP(EA), eV:	-8.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C2C(=N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)OC4CCCCCC4

DOS

IR

Vibrations