Geometry & MOs

Info

ID:	206926
PubChem CID:	80321609
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	59.47
Dipole, Da:	2.78
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2(CCC3=CC=CC=C32)C#N)C

DOS

IR

Vibrations