Geometry & MOs

Info

ID:	144565
PubChem CID:	53386472
Reduced:	ClO6H17C22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-180.33
Dipole, Da:	2.53
IP(EA), eV:	-9.45(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,10aS)-6a-acetyl-9-methyl-10,10a-dihydro-7H-benzo[c]chromen-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(C[C@@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations