Geometry & MOs

Info

ID:	186509
PubChem CID:	77439362
Reduced:	N3O8C25H47 (1)
Stoich.:	A3B8C25D47 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-369.43
Dipole, Da:	7.84
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methyl-4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CCNC(=O)CCOCCOCCOCCOCCN)OC1C=C(CCC1N)C(=O)OCC

DOS

IR

Vibrations