Geometry & MOs

Info

ID:	392127
PubChem CID:	135013180
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	372.095751
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	4.32
IP(EA), eV:	-9.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,12R)-4-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecan-12-yl] 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

C1CC2C3[C@@H]4C5=CC=CC=C5[C@@H]6C3C1C(C2O4)[C@H](O6)CCO

DOS

IR

Vibrations