Geometry & MOs

Info

ID:	381362
PubChem CID:	134972077
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	532.165266
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	1.66
IP(EA), eV:	-8.18(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methoxy-6-[(2R,5R,6R)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCOC(=C)N1CCC[C@@]1(C)/C=C/C

DOS

IR

Vibrations