Geometry & MOs

Info

ID:	210547
PubChem CID:	80821070
Reduced:	BrN4C14H25 (1)
Stoich.:	AB4C14D25 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	1.49
Dipole, Da:	3.66
IP(EA), eV:	-8.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCCCN(C1=NC(=NC=C1Br)NCC)C(C)CC

DOS

IR

Vibrations