Geometry & MOs

Info

ID:	399651
PubChem CID:	135041528
Reduced:	BrNH14C17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	60.61
Dipole, Da:	3.65
IP(EA), eV:	-8.23(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9S,11R)-9-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations