Geometry & MOs

Info

ID:	419211
PubChem CID:	135107748
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	7.11
IP(EA), eV:	-9.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)benzimidazol-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCCN(CC2)C(=O)CCCN3C=NC=N3

DOS

IR

Vibrations