Geometry & MOs

Info

ID:	392143
PubChem CID:	135013275
Reduced:	NO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	4.68
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,10R,12R)-11,15-dioxapentacyclo[6.6.1.02,7.03,12.04,9]pentadecan-10-yl]acetate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)O[C@@H](N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations