Geometry & MOs

Info

ID:	393475
PubChem CID:	135020729
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-155.42
Dipole, Da:	2.29
IP(EA), eV:	-8.01(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,9R)-12-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H]3CC4=CC=CC=C4[C@H]2C(C3)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations