Geometry & MOs

Info

ID:	18027
PubChem CID:	534313
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	3.61
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

Drug info:

PubChemData

Smile

COC1=C2CCCCC2CCC1=O

DOS

IR

Vibrations