Geometry & MOs

Info

ID:	430213
PubChem CID:	135170277
Reduced:	ClN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	4.72
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-8-ethyl-4-(2-methoxyphenyl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CC1CC2=C(C1)C(=NC3=CC(=C(C=C23)OC)OCCCN4CCCC4)Cl

DOS

IR

Vibrations