Geometry & MOs

Info

ID:	425015
PubChem CID:	135124868
Reduced:	N2O2H26C27 (1)
Stoich.:	A2B2C26D27 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	5.0
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(8-methylquinolin-7-yl)spiro[4,5-dihydro-1,3-benzodioxepine-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCC3(CC2)C=CC4=C(O3)C=CC(=C4)C5=CC6=CC=CC=C6N=C5

DOS

IR

Vibrations