Geometry & MOs

Info

ID:	320324
PubChem CID:	126659514
Reduced:	NSF3O3H26C29 (1)
Stoich.:	ABC3D3E26F29 (1)
Weight, g/mol:	112.038511
ΔH_f, kcal/mol:	-183.75
Dipole, Da:	6.45
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(nitrosomethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCSCC2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)C4=CC=C(C=C4)CCC(=O)O

DOS

IR

Vibrations