Geometry & MOs

Info

ID:	430233
PubChem CID:	135170297
Reduced:	NO2H29C40 (1)
Stoich.:	AB2C29D40 (1)
Weight, g/mol:	350.01537
ΔH_f, kcal/mol:	99.43
Dipole, Da:	4.7
IP(EA), eV:	-8.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7R)-4-(4-bromo-2-methoxyphenyl)-5-hydroxy-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC4=C3C5=CC=CC=C5C4(C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C=O

DOS

IR

Vibrations