Geometry & MOs

Info

ID:	17445
PubChem CID:	499202
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	73.13
Dipole, Da:	1.83
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyrazin-2-ylethylidene)azepane-1-carbohydrazonothioic acid

Drug info:

PubChemData

Smile

CC(=NN=C(N1CCCCCC1)S)C2=NC=CN=C2

DOS

IR

Vibrations