Geometry & MOs

Info

ID:	35428
PubChem CID:	7979847
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	388.082599
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	5.59
IP(EA), eV:	-9.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3OC2=O)OC

DOS

IR

Vibrations