Geometry & MOs

Info

ID:	181958
PubChem CID:	76820916
Reduced:	O2N3F4H19C23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	408.186064
ΔH_f, kcal/mol:	-189.79
Dipole, Da:	10.03
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-2-[4-(difluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)CC2=NN(C=C2)C3=CC=CC=C3F)C(=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations