Geometry & MOs

Info

ID:	292197
PubChem CID:	114468480
Reduced:	BrNO2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	1.76
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylsulfanylbutylamino)phenyl]ethanone

Drug info:

PubChemData

Smile

C=C(COCC1CNCCO1)Br

DOS

IR

Vibrations