Geometry & MOs

Info

ID:	320576
PubChem CID:	126661916
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	56.14
Dipole, Da:	2.48
IP(EA), eV:	-8.44(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazepan-1-yl-(6-sulfanylidene-1H-pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C/C=C(/C(=C)C)\N/C(=C(/C=C)\C=NC)/C

DOS

IR

Vibrations