Geometry & MOs

Info

ID:	380581
PubChem CID:	134971066
Reduced:	O5C17H19 (2)
Stoich.:	A5B17C19 (2)
Weight, g/mol:	287.14359
ΔH_f, kcal/mol:	-367.95
Dipole, Da:	6.46
IP(EA), eV:	-8.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,4R)-3,4-diphenyl-3,4,6,8a-tetrahydro-1H-isochromen-6-ylium

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C([C@@H](O1)C)C(=C3C(=C2)C(=C(C=C3OC)OC)C4=C5[C@@H]([C@@H](O[C@@H](C5=C(C6=C4C=C(C=C6OC)OC)O)C)C)O)O)O

DOS

IR

Vibrations