Geometry & MOs

Info

ID:	206098
PubChem CID:	80202861
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	297.154035
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	2.21
IP(EA), eV:	-8.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one

Drug info:

PubChemData

Smile

CC1(CN(CCN1C)CCC(=O)C2=CC(=CC(=C2)F)F)C

DOS

IR

Vibrations