Geometry & MOs

Info

ID:	373098
PubChem CID:	131309911
Reduced:	BrNF4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	-199.87
Dipole, Da:	2.96
IP(EA), eV:	-9.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methylpyridin-2-yl)amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)[C@@H](CC(F)(F)F)N)Br

DOS

IR

Vibrations