Geometry & MOs

Info

ID:	294391
PubChem CID:	117457406
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	2.0
IP(EA), eV:	-8.83(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-(2-oxo-1H-imidazol-3-yl)phenyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2(CCC2)CN)C)Br)O

DOS

IR

Vibrations