Geometry & MOs

Info

ID:	55314
PubChem CID:	17390042
Reduced:	ClNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	3.56
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C=CC=C2C(=O)O

DOS

IR

Vibrations