Geometry & MOs

Info

ID:	396153
PubChem CID:	135027546
Reduced:	ON7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	420.269586
ΔH_f, kcal/mol:	113.57
Dipole, Da:	6.07
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3,7-dimethyloct-5-en-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)N(C(=O)[C@]2(C)CN=[N+]=[N-])C)N=[N+]=[N-]

DOS

IR

Vibrations