Geometry & MOs

Info

ID:	41542
PubChem CID:	8146214
Reduced:	FSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	3.91
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-4-nitrophenyl)piperidine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations