Geometry & MOs

Info

ID:	279386
PubChem CID:	103843600
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	4.77
IP(EA), eV:	-9.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=NNN=C2C=C1)CO

DOS

IR

Vibrations