Geometry & MOs

Info

ID:	430706
PubChem CID:	135170772
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	3.63
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations