Geometry & MOs

Info

ID:	88706
PubChem CID:	49956186
Reduced:	Cl2O2N3C14H25 (1)
Stoich.:	A2B2C3D14E25 (1)
Weight, g/mol:	358.042188
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	17.47
IP(EA), eV:	-7.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide;dichloride

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2CC3(CCNCC3)OC2.[Cl-].[Cl-]

DOS

IR

Vibrations