Geometry & MOs

Info

ID:	341404
PubChem CID:	127264097
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-148.13
Dipole, Da:	4.65
IP(EA), eV:	-9.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations