Geometry & MOs

Info

ID:	289053
PubChem CID:	104332900
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	282.15437
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	3.37
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-N-[(3-methylpiperidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations