Geometry & MOs

Info

ID:	250543
PubChem CID:	103097398
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	22.71
Dipole, Da:	4.15
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)CC(C2=CC=CC=C2)O

DOS

IR

Vibrations