Geometry & MOs

Info

ID:	425359
PubChem CID:	135126044
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	395.10961
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	2.94
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-bromo-5-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3(CC2)OCC4=C(O3)C=CC(=C4)C5=CC=NC=C5

DOS

IR

Vibrations