Geometry & MOs

Info

ID:	250545
PubChem CID:	103097409
Reduced:	BrSN2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	67.04
Dipole, Da:	1.33
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-[2-(methylamino)propan-2-yl]-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C(C)(C)C#N)C2=CC(=CC=C2)Br

DOS

IR

Vibrations