Geometry & MOs

Info

ID:	204578
PubChem CID:	79985022
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	258.107836
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	1.21
IP(EA), eV:	-8.88(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylthiophen-2-yl)-(4-propylphenyl)methanone

Drug info:

PubChemData

Smile

CCCNCCC1=CN(C=N1)CC(=O)NCCC

DOS

IR

Vibrations