Geometry & MOs

Info

ID:	295751
PubChem CID:	117543605
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	6.16
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C1=O)C2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations