Geometry & MOs

Info

ID:	424405
PubChem CID:	135122575
Reduced:	O3C8H8 (2)
Stoich.:	A3B8C8 (2)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-methyl-3-phenylmethoxypropyl]spiro[2,4-dihydroindazole-5,4'-oxane]

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)O.COC(=O)C1=CC=CC=C1O

DOS

IR

Vibrations