Geometry & MOs

Info

ID:	198519
PubChem CID:	79113014
Reduced:	OSN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	342.96108
ΔH_f, kcal/mol:	-10.11
Dipole, Da:	3.57
IP(EA), eV:	-8.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC(=O)N2C=CSC2=N1)C3CCC(CC3)N

DOS

IR

Vibrations