Geometry & MOs

Info

ID:	206920
PubChem CID:	80321603
Reduced:	SN2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	9.47
Dipole, Da:	2.52
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(1,3-thiazol-2-ylmethyl)butanenitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2(CCC2)N)C

DOS

IR

Vibrations