Geometry & MOs

Info

ID:	33100
PubChem CID:	7851119
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-163.56
Dipole, Da:	6.49
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-(2-propanoyloxyacetyl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=CC=CC(=C1)C(=O)C

DOS

IR

Vibrations