Geometry & MOs

Info

ID:	248697
PubChem CID:	103083703
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	332.01604
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	3.04
IP(EA), eV:	-9.77(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-cyclopropylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C(=N2)C)C(=O)O

DOS

IR

Vibrations