Geometry & MOs

Info

ID:	32680
PubChem CID:	7847116
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-91.76
Dipole, Da:	4.01
IP(EA), eV:	-9.42(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations