Geometry & MOs

Info

ID:	154196
PubChem CID:	56313601
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	496.137669
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	3.49
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations