Geometry & MOs

Info

ID:	35358
PubChem CID:	7979751
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	331.061136
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	6.43
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCCC3=O)O

DOS

IR

Vibrations