Geometry & MOs

Info

ID:	32404
PubChem CID:	7783460
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	311.024374
ΔH_f, kcal/mol:	-91.66
Dipole, Da:	6.75
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations