Geometry & MOs

Info

ID:	155085
PubChem CID:	56320668
Reduced:	INO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	5.23
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-cyclopropylethyl)-2-methoxy-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=C(C=C3I)OC)OC

DOS

IR

Vibrations