Geometry & MOs

Info

ID:	296105
PubChem CID:	117556800
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	39.11
Dipole, Da:	6.94
IP(EA), eV:	-9.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(3,4-dimethylanilino)pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCCCCNC1=CC(=NC=N1)N(C)CCC#N

DOS

IR

Vibrations