Geometry & MOs

Info

ID:	409413
PubChem CID:	135082194
Reduced:	FO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	117.066403
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	12.82
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl(2-nitroethylidene)azanium

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@H](C3F)CO)CO)NC(=NC2=O)N

DOS

IR

Vibrations