Geometry & MOs

Info

ID:	416189
PubChem CID:	135089199
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	4.15
IP(EA), eV:	-9.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=CC=C3Cl)CNC1=O

DOS

IR

Vibrations