Geometry & MOs

Info

ID:	372618
PubChem CID:	131300939
Reduced:	BrNO3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	237.984673
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	2.96
IP(EA), eV:	-9.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2,3-dichloroprop-2-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C(C(CO)O)N)O

DOS

IR

Vibrations