Geometry & MOs

Info

ID:	207837
PubChem CID:	80458692
Reduced:	ClN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	6.13
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-methoxy-2-nitrophenyl)piperidin-4-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2CC(=O)OC)CCl

DOS

IR

Vibrations