Geometry & MOs

Info

ID:	220928
PubChem CID:	85240539
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	2.29
IP(EA), eV:	-8.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-6-amine

Drug info:

PubChemData

Smile

CN1CCC2=C3C1CC4=C(C3=CC(=C2)OC)C=C(C=C4)OC

DOS

IR

Vibrations