Geometry & MOs

Info

ID:	207420
PubChem CID:	80394900
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	3.59
IP(EA), eV:	-9.27(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OCC(C)(C#N)NC3CC3)C)C

DOS

IR

Vibrations