Geometry & MOs

Info

ID:	381595
PubChem CID:	134972378
Reduced:	O3C28H30 (1)
Stoich.:	A3B28C30 (1)
Weight, g/mol:	534.27701
ΔH_f, kcal/mol:	-38.45
Dipole, Da:	0.91
IP(EA), eV:	-9.26(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)cycloheptene

Drug info:

PubChemData

Smile

C1C=C[C@H]([C@@H]([C@@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations