Geometry & MOs

Info

ID:	341308
PubChem CID:	127264001
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-154.28
Dipole, Da:	4.75
IP(EA), eV:	-9.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(C=C1)C(=O)C(CC2)C(=O)C(=O)OC

DOS

IR

Vibrations