Geometry & MOs

Info

ID:	341411
PubChem CID:	127264104
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-150.09
Dipole, Da:	4.1
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)C(=O)C(CCC2)C(=O)C(=O)OC

DOS

IR

Vibrations