Geometry & MOs

Info

ID:	274839
PubChem CID:	103811964
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	306.176585
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	6.31
IP(EA), eV:	-8.54(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-methyl-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)C2C3CCC(C3)C2N

DOS

IR

Vibrations