Geometry & MOs

Info

ID:	288352
PubChem CID:	104315253
Reduced:	BrSN3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	398.9041
ΔH_f, kcal/mol:	33.44
Dipole, Da:	1.62
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2-(3,5-dibromopyridin-2-yl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1CC(CC2=C1SC(=N2)C3=C(C=CC=N3)Br)(C)C

DOS

IR

Vibrations