Geometry & MOs

Info

ID:	198533
PubChem CID:	79115431
Reduced:	OCl2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	3.48
IP(EA), eV:	-9.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations