Geometry & MOs

Info

ID:	263591
PubChem CID:	103380277
Reduced:	OSN5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	226.088832
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	7.48
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-hydroxyethyl(propyl)amino]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=C(SN=C1N)N2CCC(CC2)CN(C)C

DOS

IR

Vibrations