Geometry & MOs

Info

ID:	60597
PubChem CID:	26697250
Reduced:	N2O5C26H28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	3.38
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-ethylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OCC)OC

DOS

IR

Vibrations