Geometry & MOs

Info

ID:	48841
PubChem CID:	11528388
Reduced:	NOH7C10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	158.141913
ΔH_f, kcal/mol:	52.59
Dipole, Da:	3.37
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-5-methylhexanamide

Drug info:

PubChemData

Smile

C1=CC2=COC(=CC2=C1)CC#N

DOS

IR

Vibrations