Geometry & MOs

Info

ID:	171017
PubChem CID:	75312592
Reduced:	BrN4O5H13C19 (1)
Stoich.:	AB4C5D13E19 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	72.56
Dipole, Da:	6.59
IP(EA), eV:	-8.92(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=NNC3=CC=C(C=C3)Br

DOS

IR

Vibrations