Geometry & MOs

Info

ID:	257284
PubChem CID:	103144921
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	13.75
Dipole, Da:	9.9
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations