Geometry & MOs

Info

ID:	380466
PubChem CID:	134970920
Reduced:	NCl2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	5.12
IP(EA), eV:	-9.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC(=NO1)C2=C(C=C(C=C2)Cl)Cl)C(=C)C(=O)C)C(=O)C

DOS

IR

Vibrations