Geometry & MOs

Info

ID:	19809
PubChem CID:	573232
Reduced:	BrN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	6.48
IP(EA), eV:	-9.26(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)carbamoyl]-3-methylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC(=C1C(=O)O)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations