Geometry & MOs

Info

ID:	373044
PubChem CID:	131309023
Reduced:	BrO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	13.62
Dipole, Da:	5.03
IP(EA), eV:	-10.23(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-bromopyrimidin-2-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=C1)C2=NC=CC(=N2)Br

DOS

IR

Vibrations