Geometry & MOs

Info

ID:	47965
PubChem CID:	10536070
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	12.78
Dipole, Da:	3.98
IP(EA), eV:	-9.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-1H-pyrrol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#C[C@](CC#N)(CO)O

DOS

IR

Vibrations