Geometry & MOs

Info

ID:	202353
PubChem CID:	79661686
Reduced:	ON3C16H33 (1)
Stoich.:	AB3C16D33 (1)
Weight, g/mol:	197.189198
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	2.87
IP(EA), eV:	-8.46(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-2,2-dimethylpropyl)-propylamino]propanenitrile

Drug info:

PubChemData

Smile

CCCN(CC(=O)N1CCC(CC1)C)CC(C)(C)CN

DOS

IR

Vibrations