Geometry & MOs

Info

ID:	153994
PubChem CID:	56313354
Reduced:	F2N3O3H23C26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	468.203605
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	0.54
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations