Geometry & MOs

Info

ID:	182085
PubChem CID:	76839618
Reduced:	N2O4F6C31H34 (1)
Stoich.:	A2B4C6D31E34 (1)
Weight, g/mol:	534.280633
ΔH_f, kcal/mol:	-468.35
Dipole, Da:	11.95
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)N2CCC(C(C2)C(F)(F)F)C3=CC(=CC=C3)C(=O)O)C(=O)N4CC5=C(C=CC(=C5)C(F)(F)F)OC4

DOS

IR

Vibrations