Geometry & MOs

Info

ID:	55322
PubChem CID:	17390050
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	10.37
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=C(N=C2)C(=O)O

DOS

IR

Vibrations