Geometry & MOs

Info

ID:	327893
PubChem CID:	126691253
Reduced:	OC18H28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	1.84
IP(EA), eV:	-8.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations