Geometry & MOs

Info

ID:	430336
PubChem CID:	135170400
Reduced:	NBr2H19C26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	125.88
Dipole, Da:	3.05
IP(EA), eV:	-8.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-(2-methoxy-4-prop-1-ynylphenyl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

C1CC2=C1C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

DOS

IR

Vibrations