Geometry & MOs

Info

ID:	358343
PubChem CID:	127295888
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	6.35
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[methyl(oxan-3-ylmethyl)amino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations