Geometry & MOs

Info

ID:	35330
PubChem CID:	7979710
Reduced:	ClNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	380.077514
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	3.12
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-(4-chloro-2-nitrophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations