Geometry & MOs

Info

ID:	252760
PubChem CID:	103113931
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	315.06947
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	4.81
IP(EA), eV:	-10.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2CCCC2)C(=O)OC

DOS

IR

Vibrations