Geometry & MOs

Info

ID:	399252
PubChem CID:	135039178
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	22.94
Dipole, Da:	6.33
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynyl-5-methyl-2-propan-2-yl-1,3-dioxolan-4-one

Drug info:

PubChemData

Smile

CC(C)(C(CC=C)C1=CNC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations