Geometry & MOs

Info

ID:	125784
PubChem CID:	50938276
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	3.18
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1C(=O)CCC2)NC(=O)C

DOS

IR

Vibrations