Geometry & MOs

Info

ID:	226602
PubChem CID:	87544340
Reduced:	F3N3O5H10C16 (1)
Stoich.:	A3B3C5D10E16 (1)
Weight, g/mol:	112.100048
ΔH_f, kcal/mol:	-159.34
Dipole, Da:	13.04
IP(EA), eV:	-8.88(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-prop-2-enylprop-2-ene-1,1-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C2=C/C(=C/3\C=C(C(=O)C(=C3)O)[N+](=O)[O-])/NO2)C(F)(F)F

DOS

IR

Vibrations