Geometry & MOs

Info

ID:	375418
PubChem CID:	131529598
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	253.07074
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	6.34
IP(EA), eV:	-9.82(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-methylsulfanyl-1H-pyrrol-2-amine

Drug info:

PubChemData

Smile

C1=C(C=NN1)CCC2=CN=C(C=N2)C(=O)O

DOS

IR

Vibrations