Geometry & MOs

Info

ID:	273996
PubChem CID:	103806389
Reduced:	FION2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-29.49
Dipole, Da:	2.52
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)ethyl]-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1NCCNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations