Geometry & MOs

Info

ID:	201240
PubChem CID:	79510832
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	2.25
IP(EA), eV:	-8.83(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(CN=C1N)C2=CC(=CC=C2)OC

DOS

IR

Vibrations