Geometry & MOs

Info

ID:	382012
PubChem CID:	134972915
Reduced:	CrOC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	43.36
Dipole, Da:	2.58
IP(EA), eV:	-7.52(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7S,10aS)-7-(hydroxymethyl)-3a,4,7-trimethyl-3,4,5,8,9,10-hexahydrobenzo[h][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=[Cr])OC

DOS

IR

Vibrations