Geometry & MOs

Info

ID:	182087
PubChem CID:	76839726
Reduced:	N2O2F4C27H30 (1)
Stoich.:	A2B2C4D27E30 (1)
Weight, g/mol:	557.250141
ΔH_f, kcal/mol:	-221.06
Dipole, Da:	2.55
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(benzylamino)-2-oxoethyl]piperidin-1-yl]-2-[1-[3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)F)C(CO)C3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)F)F)F

DOS

IR

Vibrations