Geometry & MOs

Info

ID:	267993
PubChem CID:	103593619
Reduced:	ClFON3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	295.169605
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	5.18
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)N=C(N2C(C)(C)C(=O)N)CCCl

DOS

IR

Vibrations