Geometry & MOs

Info

ID:	328761
PubChem CID:	126727469
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	5.08
IP(EA), eV:	-9.17(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-butyl-5-(butylamino)-4-hydroxyphenyl]sulfanylpropan-2-one

Drug info:

PubChemData

Smile

C1=CNC=C1CC(C(=O)O)NN

DOS

IR

Vibrations