Geometry & MOs

Info

ID:	35320
PubChem CID:	7979684
Reduced:	NCl2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	3.11
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations