Geometry & MOs

Info

ID:	203763
PubChem CID:	79867493
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	287.083683
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	5.08
IP(EA), eV:	-8.68(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-5-fluoro-2-nitrophenyl)-3-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)CC(=O)N(C)C2CC2

DOS

IR

Vibrations