Geometry & MOs

Info

ID:	27214
PubChem CID:	819735
Reduced:	ClNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	209.121592
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	3.86
IP(EA), eV:	-9.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-1-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](C2=C(C=CS2)CN)O)Cl

DOS

IR

Vibrations