Geometry & MOs

Info

ID:	55065
PubChem CID:	17389721
Reduced:	ClNSO2C7H10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	294.065031
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	6.41
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitropyridin-2-yl)-1,4-diazepane;dihydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CS1)CN.Cl

DOS

IR

Vibrations