Geometry & MOs

Info

ID:	19761
PubChem CID:	572085
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	4.29
IP(EA), eV:	-9.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN2C=CC=C2C(=O)O)O

DOS

IR

Vibrations