Geometry & MOs

Info

ID:	245679
PubChem CID:	103022897
Reduced:	ClO2N3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	231.11384
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	5.3
IP(EA), eV:	-9.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(2-methoxypropan-2-yl)-4-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)(C1=NN=C(N1CCOC)CCl)OC

DOS

IR

Vibrations