Geometry & MOs

Info

ID:	373870
PubChem CID:	131320846
Reduced:	NSO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	227.118925
ΔH_f, kcal/mol:	-160.8
Dipole, Da:	7.62
IP(EA), eV:	-8.82(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-3,3-dimethylbutane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1CCSCC1C(=O)O

DOS

IR

Vibrations