Geometry & MOs

Info

ID:	207171
PubChem CID:	80355134
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	2.55
IP(EA), eV:	-8.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-4-ethoxy-N-methylbutanamide

Drug info:

PubChemData

Smile

CN(C)CCSCC(=O)NC1=CC=CC=C1N

DOS

IR

Vibrations