Geometry & MOs

Info

ID:	393476
PubChem CID:	135020731
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	1.75
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]2CC3=CC=CC=C3[C@@H]1N2C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations