Geometry & MOs

Info

ID:	250540
PubChem CID:	103097361
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	23.71
Dipole, Da:	4.07
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CCCNC(C)C1=C(N=C(S1)C(C)(C)C#N)C

DOS

IR

Vibrations