Geometry & MOs

Info

ID:	374163
PubChem CID:	131324680
Reduced:	NF4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	244.97999
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	4.02
IP(EA), eV:	-9.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-6-(methylamino)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=CC(=C(C=C2F)C(F)F)F)N

DOS

IR

Vibrations