Geometry & MOs

Info

ID:	131391
PubChem CID:	51199727
Reduced:	OSN3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	294.176585
ΔH_f, kcal/mol:	68.76
Dipole, Da:	5.78
IP(EA), eV:	-9.38(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations