Geometry & MOs

Info

ID:	159162
PubChem CID:	57264276
Reduced:	OF2N2C28H30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	270.088353
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	3.9
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-chloropyridin-3-yl)propyl]-N'-methyl-2-nitroethanimidamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)C(=O)NCCCCC4=CN=CC=C4

DOS

IR

Vibrations