Geometry & MOs

Info

ID:	62447
PubChem CID:	26719729
Reduced:	ClNO2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	320.09277
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	5.69
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3-chlorophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations