Geometry & MOs

Info

ID:	416104
PubChem CID:	135089112
Reduced:	ClON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-29.52
Dipole, Da:	4.56
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)Cl)O

DOS

IR

Vibrations