Geometry & MOs

Info

ID:	56856
PubChem CID:	22394421
Reduced:	ClFSN2O3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	1.81
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)F

DOS

IR

Vibrations