Geometry & MOs

Info

ID:	296461
PubChem CID:	117576054
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	248.174945
ΔH_f, kcal/mol:	108.13
Dipole, Da:	2.91
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC=NC(=C2)NC#N

DOS

IR

Vibrations