Geometry & MOs

Info

ID:	265867
PubChem CID:	103555886
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	2.35
IP(EA), eV:	-9.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-methoxycyclobutyl)acetyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations