Geometry & MOs

Info

ID:	210461
PubChem CID:	80809960
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	234.159295
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	2.35
IP(EA), eV:	-8.55(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N(C)CC(COC)O)C

DOS

IR

Vibrations