Geometry & MOs

Info

ID:	341723
PubChem CID:	127264416
Reduced:	ClN2O5C16H25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	706.496111
ΔH_f, kcal/mol:	-168.81
Dipole, Da:	8.89
IP(EA), eV:	-8.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[4-(4-heptylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-heptylcyclohexyl)benzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)[N+](=O)[O-].Cl

DOS

IR

Vibrations