Geometry & MOs

Info

ID:	224237
PubChem CID:	85340550
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-149.79
Dipole, Da:	1.38
IP(EA), eV:	-9.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethylidene)-6-methoxy-3,4-dihydronaphthalen-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(=C1C(=O)OC)CC(=O)C

DOS

IR

Vibrations