Geometry & MOs

Info

ID:	199974
PubChem CID:	79325914
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	40.38
Dipole, Da:	3.58
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCN(CC1=NC(=CS1)C)CC(C)C#N

DOS

IR

Vibrations