Geometry & MOs

Info

ID:	38060
PubChem CID:	8026718
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	351.110673
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	8.97
IP(EA), eV:	-8.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] (E)-3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)C=C(C=C2)OC

DOS

IR

Vibrations