Geometry & MOs

Info

ID:	296138
PubChem CID:	117557514
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	6.56
IP(EA), eV:	-8.91(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(butylamino)-2-methylpyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCCCN(C)C1=NC(=NC(=C1)NCCC(=O)O)C

DOS

IR

Vibrations