Geometry & MOs

Info

ID:	274852
PubChem CID:	103812022
Reduced:	OSN2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	4.68
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-(2-methylsulfanylcyclohexyl)butanamide

Drug info:

PubChemData

Smile

CSC1CCCCC1NC(=O)CCC(C2=CC=CC=C2)N

DOS

IR

Vibrations