Geometry & MOs

Info

ID:	423674
PubChem CID:	135119970
Reduced:	ClON5C14H22 (1)
Stoich.:	ABC5D14E22 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	7.6
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-pyrrol-1-ylpentan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCCCN2CCCC(C2)C(=O)N)Cl

DOS

IR

Vibrations