Geometry & MOs

Info

ID:	153465
PubChem CID:	56312682
Reduced:	FN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	470.239242
ΔH_f, kcal/mol:	-106.98
Dipole, Da:	5.88
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations