Geometry & MOs

Info

ID:	296480
PubChem CID:	117577572
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	27.11
Dipole, Da:	2.37
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[6-(3-methylbutylamino)pyrimidin-4-yl]amino]acetonitrile

Drug info:

PubChemData

Smile

CN(C#N)C1=NC=NC(=C1)NCC2CCCO2

DOS

IR

Vibrations