Geometry & MOs

Info

ID:	391752
PubChem CID:	135009203
Reduced:	O6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-263.86
Dipole, Da:	3.38
IP(EA), eV:	-9.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitro-4-(2-oxocyclohexyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\[C@]2(C[C@@H](O1)[C@H]3[C@@H](C2)OC(O3)(C)C)OC

DOS

IR

Vibrations