Geometry & MOs

Info

ID:	415927
PubChem CID:	135088929
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	0.49
Dipole, Da:	2.09
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=C4C5=C(CCCC5)SC4=NC=N3

DOS

IR

Vibrations