Geometry & MOs

Info

ID:	309145
PubChem CID:	126538677
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	3.84
IP(EA), eV:	-9.44(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1CC2C3CCC4=CC(CC[C@@]4(C3=CC[C@@]2([C@@]1(C)C(=O)CO)C)C)O

DOS

IR

Vibrations