Geometry & MOs

Info

ID:	344393
PubChem CID:	127267569
Reduced:	FN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-239.34
Dipole, Da:	2.68
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-methyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCCCOC

DOS

IR

Vibrations