Geometry & MOs

Info

ID:	430236
PubChem CID:	135170300
Reduced:	N2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	347.99972
ΔH_f, kcal/mol:	30.35
Dipole, Da:	3.25
IP(EA), eV:	-8.58(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-(4-bromo-2-methoxyphenyl)-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC#CC1[C@@H]2CN(C[C@@H]2CN1C)C

DOS

IR

Vibrations