Geometry & MOs

Info

ID:	35349
PubChem CID:	7979734
Reduced:	ClN3O5H10C12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	380.077514
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	2.61
IP(EA), eV:	-9.7(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations