Geometry & MOs

Info

ID:	146058
PubChem CID:	53629324
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	392.105833
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	1.37
IP(EA), eV:	-8.68(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride

Drug info:

PubChemData

Smile

[CH2-]CC=[N+]1CCOCC1

DOS

IR

Vibrations