Geometry & MOs

Info

ID:	341400
PubChem CID:	127264093
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	2.08
IP(EA), eV:	-8.58(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCO2)C=C1)N3CCNCC3

DOS

IR

Vibrations