Geometry & MOs

Info

ID:	199973
PubChem CID:	79325913
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	2.03
IP(EA), eV:	-8.18(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(CCN1CCN(CC1)C2CCCC2)O

DOS

IR

Vibrations