Geometry & MOs

Info

ID:	423189
PubChem CID:	135119067
Reduced:	ClN5C15H18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	39.34
Dipole, Da:	6.14
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(1H-imidazol-5-ylmethyl)-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=C2CCCC2=NC(=N1)CCNC3=NC(=NC=C3Cl)C

DOS

IR

Vibrations