Geometry & MOs

Info

ID:	427258
PubChem CID:	135156496
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	272.035255
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	8.28
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-quinolin-5-ylpyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CN1CCC/C(=C\C2=CC=C(C=C2)C(=O)O)/CC1)O

DOS

IR

Vibrations