Geometry & MOs

Info

ID:	421424
PubChem CID:	135115963
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	5.12
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1'-(7H-purin-6-yl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CSC4=CC=CC=C43)OCC1

DOS

IR

Vibrations