Geometry & MOs

Info

ID:	419344
PubChem CID:	135108012
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	5.75
IP(EA), eV:	-8.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C4=NC=CN=C4)OCC2

DOS

IR

Vibrations