Geometry & MOs

Info

ID:	210546
PubChem CID:	80820957
Reduced:	ON6C12H22 (1)
Stoich.:	AB6C12D22 (1)
Weight, g/mol:	328.12626
ΔH_f, kcal/mol:	-35.73
Dipole, Da:	2.99
IP(EA), eV:	-8.76(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-butan-2-yl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)N)N(CC(C)C)CC(=O)N

DOS

IR

Vibrations