Geometry & MOs

Info

ID:	183092
PubChem CID:	76977437
Reduced:	FON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	199.106925
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	6.29
IP(EA), eV:	-9.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethoxyethyl)-1H-1,2,4-triazol-5-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C(C)C)C2=CC(=CC=C2)F

DOS

IR

Vibrations