Geometry & MOs

Info

ID:	269055
PubChem CID:	103609063
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	4.86
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC=C1)NCCN2CCCC2

DOS

IR

Vibrations