Geometry & MOs

Info

ID:	210497
PubChem CID:	80815209
Reduced:	BrF3N4C10H14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	-131.13
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,2-dimethyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)N(CC(F)(F)F)C1=NC(=NC=C1Br)NC

DOS

IR

Vibrations