Geometry & MOs

Info

ID:	341402
PubChem CID:	127264095
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-142.84
Dipole, Da:	4.57
IP(EA), eV:	-9.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations