Geometry & MOs

Info

ID:	403760
PubChem CID:	135061732
Reduced:	OSiC23H38 (1)
Stoich.:	ABC23D38 (1)
Weight, g/mol:	289.079766
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	1.91
IP(EA), eV:	-9.13(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-acetyloxy-3-nitrobut-3-enyl)propanedioate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)/C(=C/C)/CC(C1CCCCC1)(C2=CC=CC=C2)O

DOS

IR

Vibrations