Geometry & MOs

Info

ID:	198819
PubChem CID:	79155486
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	4.13
IP(EA), eV:	-8.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-aminocyclohexyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NC2=NC3=C(S2)C=C(C=C3)N

DOS

IR

Vibrations