Geometry & MOs

Info

ID:	12598
PubChem CID:	141439
Reduced:	C2O3H5N5 (1)
Stoich.:	A2B3C5D5 (1)
Weight, g/mol:	147.039239
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	8.06
IP(EA), eV:	-10.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diaminomethylidene)-3-nitrourea

Drug info:

PubChemData

Smile

C(=NC(=O)N[N+](=O)[O-])(N)N

DOS

IR

Vibrations