Geometry & MOs

Info

ID:	398401
PubChem CID:	135033129
Reduced:	NO5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	5.38
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8aS)-2-(4-phenylmethoxybut-1-ynyl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-4a-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2(C(=O)C3=CC=CC=C3O)O)C4=CC=CC=C4O

DOS

IR

Vibrations