Geometry & MOs

Info

ID:	16266
PubChem CID:	463181
Reduced:	ClNO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	365.139386
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	6.44
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aS,8aS)-1-chloro-8a-hydroxy-3-[hydroxy-(4-methoxyanilino)methylidene]-4a-methyl-1,4,5,6,7,8-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@]12CCCC[C@]1([C@H](C(=O)C(=C(NC3=CC=C(C=C3)OC)O)C2)Cl)O

DOS

IR

Vibrations