Geometry & MOs

Info

ID:	197150
PubChem CID:	78929203
Reduced:	ClNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	4.28
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC2=CC=CC=C2Cl)C=O

DOS

IR

Vibrations