Geometry & MOs

Info

ID:	416317
PubChem CID:	135089330
Reduced:	OCl2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	3.07
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCN(C1)CCOC)C2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations