Geometry & MOs

Info

ID:	26466
PubChem CID:	649436
Reduced:	S2N3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	6.84
IP(EA), eV:	-8.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)CC3=CC=CS3

DOS

IR

Vibrations