Geometry & MOs

Info

ID:	177794
PubChem CID:	76230909
Reduced:	OCl3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	361.130106
ΔH_f, kcal/mol:	53.88
Dipole, Da:	1.81
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(difluoromethoxy)phenyl]-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC=C2)Cl)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations