Geometry & MOs

Info

ID:	389913
PubChem CID:	134995956
Reduced:	O3N5C11H11 (1)
Stoich.:	A3B5C11D11 (1)
Weight, g/mol:	193.044718
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	6.09
IP(EA), eV:	-9.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitramidoethyl)-3-nitrourea

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)C(=O)N)NN=NCC#N

DOS

IR

Vibrations