Geometry & MOs

Info

ID:	125032
PubChem CID:	50907699
Reduced:	BrO2N4H13C19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	344.127326
ΔH_f, kcal/mol:	49.77
Dipole, Da:	5.55
IP(EA), eV:	-9.12(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(N=C3N2C=C(C=N3)C(=O)O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations