Geometry & MOs

Info

ID:	144303
PubChem CID:	53347164
Reduced:	ClN2O2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	265.110766
ΔH_f, kcal/mol:	40.65
Dipole, Da:	1.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858000
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-1-methylpiperidine-4-carbonitrile;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2)CNCCC3=CNC4=CC=CC=C43.[Cl-]

DOS

IR

Vibrations