Geometry & MOs

Info

ID:	184196
PubChem CID:	77126443
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	277.097503
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	5.72
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazol-5-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(C2)CN3CC(C(=O)NC3=O)Br

DOS

IR

Vibrations