Geometry & MOs

Info

ID:	285053
PubChem CID:	104093622
Reduced:	O4N5C11H19 (1)
Stoich.:	A4B5C11D19 (1)
Weight, g/mol:	332.94352
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	3.8
IP(EA), eV:	-10.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-chlorophenyl)-4-(3-chloropropyl)triazole

Drug info:

PubChemData

Smile

COCCNC(=O)NC(=O)CN1C=C(N=N1)CCCO

DOS

IR

Vibrations