Geometry & MOs

Info

ID:	374170
PubChem CID:	131324805
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	282.99564
ΔH_f, kcal/mol:	-102.9
Dipole, Da:	3.41
IP(EA), eV:	-10.08(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-3-pyrrol-3-ylidene-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2COCC2=NC(=C1C(=O)O)Cl

DOS

IR

Vibrations