Geometry & MOs

Info

ID:	329345
PubChem CID:	126735024
Reduced:	SN3O3C27H33 (1)
Stoich.:	AB3C3D27E33 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	6.93
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dinitrosophenyl)ethyl]-3-methylurea

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2C(=N1)C3(CC3)CC(N4CCCC5C4CCCC5C(=O)O)O)C6=CC=CS6

DOS

IR

Vibrations