Geometry & MOs

Info

ID:	343399
PubChem CID:	127266572
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	317.135111
ΔH_f, kcal/mol:	23.92
Dipole, Da:	4.62
IP(EA), eV:	-8.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide

Drug info:

PubChemData

Smile

CN1[C@H]([C@@H](CC1=O)NCCCN(C)C2=CC=CC=C2)C3=CC=NN3C

DOS

IR

Vibrations