Geometry & MOs

Info

ID:	1987
PubChem CID:	5509
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	5.91
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O

DOS

IR

Vibrations