Geometry & MOs

Info

ID:	210599
PubChem CID:	80828973
Reduced:	N7C13H25 (1)
Stoich.:	A7B13C25 (1)
Weight, g/mol:	298.07931
ΔH_f, kcal/mol:	33.33
Dipole, Da:	1.76
IP(EA), eV:	-8.63(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C2=NC(=NC(=N2)N(C)C)N

DOS

IR

Vibrations