Geometry & MOs

Info

ID:	418033
PubChem CID:	135103357
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	2.45
IP(EA), eV:	-8.5(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(methylamino)pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations