Geometry & MOs

Info

ID:	425164
PubChem CID:	135125388
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	399.08453
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	4.82
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCC3(CCC4=C(O3)C=CC(=C4)C5=CN=CC=C5)CC2

DOS

IR

Vibrations