Geometry & MOs

Info

ID:	291626
PubChem CID:	113452637
Reduced:	ClN2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	239.179776
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	5.64
IP(EA), eV:	-9.97(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoropyridin-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC/C=C/CCl)[N+](=O)[O-]

DOS

IR

Vibrations