Geometry & MOs

Info

ID:	342519
PubChem CID:	127265674
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	330.241962
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	4.75
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1CCN(C1)CC=CC2=CC=CC=C2OC

DOS

IR

Vibrations