Geometry & MOs

Info

ID:	2076
PubChem CID:	5733
Reduced:	ClNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	291.066221
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	3.51
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations