Geometry & MOs

Info

ID:	245682
PubChem CID:	103022910
Reduced:	ClON3C9H16 (1)
Stoich.:	ABC3D9E16 (1)
Weight, g/mol:	289.07897
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	6.26
IP(EA), eV:	-9.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)(CC1=NN=C(N1C)CCl)OC

DOS

IR

Vibrations