Geometry & MOs

Info

ID:	425360
PubChem CID:	135126046
Reduced:	BrNO3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	3.82
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCC3(O2)CCN(CC3)C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations