Geometry & MOs

Info

ID:	153487
PubChem CID:	56312715
Reduced:	N2F3O4C23H31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	477.125547
ΔH_f, kcal/mol:	-327.92
Dipole, Da:	2.1
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C(=O)CC3CCCC3)OCC(F)(F)F

DOS

IR

Vibrations