Geometry & MOs

Info

ID:	399459
PubChem CID:	135040403
Reduced:	ClO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-153.11
Dipole, Da:	2.66
IP(EA), eV:	-9.64(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S,4aS)-4-hydroxy-4-methyl-2,3,4a,7-tetrahydro-1H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@@H](C[C@@H]3[C@H](O2)C[C@@H](CO3)Cl)OC1

DOS

IR

Vibrations