Geometry & MOs

Info

ID:	222522
PubChem CID:	85305373
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	356.147118
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	2.19
IP(EA), eV:	-8.79(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-ethoxy-1-oxopropan-2-yl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1(CC1CNC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

DOS

IR

Vibrations