Geometry & MOs

Info

ID:	154935
PubChem CID:	56314486
Reduced:	FO2N4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	464.192292
ΔH_f, kcal/mol:	14.25
Dipole, Da:	7.76
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CN4C=CN=C4

DOS

IR

Vibrations