Geometry & MOs

Info

ID:	401680
PubChem CID:	135052120
Reduced:	OSN4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	357.104874
ΔH_f, kcal/mol:	48.94
Dipole, Da:	2.42
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-methylidene-3-[4-nitro-3-(trifluoromethyl)phenyl]-4H-triazol-4-yl]morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/NC(=S)NC(=O)C2=CC=CC=C2)/N

DOS

IR

Vibrations