Geometry & MOs

Info

ID:	247311
PubChem CID:	103069995
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	3.32
IP(EA), eV:	-8.7(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CCNCC(=C)CN(CCO)C1CCCCC1

DOS

IR

Vibrations