Geometry & MOs

Info

ID:	245676
PubChem CID:	103022869
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	4.63
IP(EA), eV:	-9.63(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1CO)CC(C)(C)OC

DOS

IR

Vibrations