Geometry & MOs

Info

ID:	224621
PubChem CID:	85345385
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	3.63
IP(EA), eV:	-9.63(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-ol

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3C2CCC4(C3CCC4=O)C)O

DOS

IR

Vibrations