Geometry & MOs

Info

ID:	292229
PubChem CID:	114528655
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	278.088912
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.44
IP(EA), eV:	-8.64(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(C(C1)CCC2=NC=CN2C)NC

DOS

IR

Vibrations