Geometry & MOs

Info

ID:	210223
PubChem CID:	80776434
Reduced:	ClN4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	270.04801
ΔH_f, kcal/mol:	21.81
Dipole, Da:	3.07
IP(EA), eV:	-8.51(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-cyclopropyl-4-N-ethyl-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N(C)C2CCCC2)Cl

DOS

IR

Vibrations