Geometry & MOs

Info

ID:	273980
PubChem CID:	103806275
Reduced:	ClION2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	3.1
IP(EA), eV:	-9.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminobutyl)-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C=C1)I)Cl)N

DOS

IR

Vibrations