Geometry & MOs

Info

ID:	245675
PubChem CID:	103022867
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	5.16
IP(EA), eV:	-9.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(CC1=NN=C(N1C2CC2)CO)OC

DOS

IR

Vibrations