Geometry & MOs

Info

ID:	371887
PubChem CID:	131277390
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	153.036068
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	3.57
IP(EA), eV:	-9.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminoethyl)-1,3-thiazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[C@](C)(CCO)N)C#N

DOS

IR

Vibrations