Geometry & MOs

Info

ID:	9888
PubChem CID:	94490
Reduced:	O2N4C6H11 (1)
Stoich.:	A2B4C6D11 (1)
Weight, g/mol:	171.088201
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771111
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(ethylamino)-2-oxoethyl]amino]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

CCNC(=O)CNC(=C[N+]#N)O

DOS

IR

Vibrations