Geometry & MOs

Info

ID:	262066
PubChem CID:	103268010
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	6.18
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyclopropylpropylamino)methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CCCNCC2=CC3=C(C=C2)OC(=C3)C(=O)O

DOS

IR

Vibrations