Geometry & MOs

Info

ID:	420087
PubChem CID:	135111089
Reduced:	NNa2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-251.56
Dipole, Da:	4.07
IP(EA), eV:	-7.58(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC(=O)C2=C(C=C(C=C2)[O-])[O-].[Na+].[Na+]

DOS

IR

Vibrations