Geometry & MOs

Info

ID:	207835
PubChem CID:	80458189
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	8.05
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CCC(C)C(C)NC1=C(C=CC(=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations