Geometry & MOs

Info

ID:	296626
PubChem CID:	117586104
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	42.34
Dipole, Da:	6.02
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[tert-butyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=NC(=C1)NCCC#N)C

DOS

IR

Vibrations