Geometry & MOs

Info

ID:	216473
PubChem CID:	85086288
Reduced:	OC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	2.87
IP(EA), eV:	-9.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one

Drug info:

PubChemData

Smile

COC(C(C1=CC=CC=C1)O)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations