Geometry & MOs

Info

ID:	210468
PubChem CID:	80811064
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	2.24
Dipole, Da:	6.12
IP(EA), eV:	-9.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(methylamino)pyridin-2-yl]-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C1=NC(=NC(=N1)NC)OC(C)C

DOS

IR

Vibrations