Geometry & MOs

Info

ID:	349644
PubChem CID:	127275796
Reduced:	F2O2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	2.73
IP(EA), eV:	-9.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-N-[1-(4-methylbenzoyl)piperidin-4-yl]-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCOC(C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations