Geometry & MOs

Info

ID:	372985
PubChem CID:	131308068
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	238.059841
ΔH_f, kcal/mol:	44.29
Dipole, Da:	3.31
IP(EA), eV:	-9.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-methyl-1-(3-thiophen-2-yl-1,2-thiazol-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1=NC=C(C2=C1CNCC2)C#N

DOS

IR

Vibrations