Geometry & MOs

Info

ID:	385922
PubChem CID:	134980326
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	1.98
IP(EA), eV:	-9.55(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-acetyl-2-methoxycyclohex-3-en-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C=CCC[C@@H]1C(=O)OC

DOS

IR

Vibrations