Geometry & MOs

Info

ID:	293375
PubChem CID:	117386430
Reduced:	FNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	1.32
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-cyclopropylsulfonylphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CF)OC)C2CCNCC2

DOS

IR

Vibrations