Geometry & MOs

Info

ID:	425117
PubChem CID:	135125217
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	438.134635
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(3-chloroisoquinolin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=NC=CN12)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C(=O)NO

DOS

IR

Vibrations