Geometry & MOs

Info

ID:	341408
PubChem CID:	127264101
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	3.99
IP(EA), eV:	-9.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-ethyl-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=O)C(CCC2)C(=O)C(=O)OC

DOS

IR

Vibrations