Geometry & MOs

Info

ID:	329208
PubChem CID:	126731989
Reduced:	OSF4N7H19C24 (1)
Stoich.:	ABC4D7E19F24 (1)
Weight, g/mol:	151.074562
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	2.51
IP(EA), eV:	-8.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-nitrosoaniline

Drug info:

PubChemData

Smile

C/C(=C(/C=NC)\NC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=CC(=C3F)NSC4=C(C=CC(=C4)F)F)F)/N

DOS

IR

Vibrations