Geometry & MOs

Info

ID:	196156
PubChem CID:	78791098
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-138.29
Dipole, Da:	2.98
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C(C)(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations