Geometry & MOs

Info

ID:	259498
PubChem CID:	103166970
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	5.83
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(3-ethoxycyclobutyl)acetamide

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NC(CN)C2=CC=CC=C2

DOS

IR

Vibrations