Geometry & MOs

Info

ID:	261562
PubChem CID:	103240456
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	6.17
IP(EA), eV:	-9.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=O)N1)OC(C)(C)C

DOS

IR

Vibrations