Geometry & MOs

Info

ID:	274840
PubChem CID:	103811970
Reduced:	OSN2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	272.192235
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	1.83
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-4-methyl-N-(3-methylsulfanylcyclohexyl)pentanamide

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)N)C(=O)NC2CCCC(C2)SC

DOS

IR

Vibrations