Geometry & MOs

Info

ID:	245677
PubChem CID:	103022871
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	185.116427
ΔH_f, kcal/mol:	-73.34
Dipole, Da:	4.25
IP(EA), eV:	-9.79(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methoxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CO)CC(C)(C)OC

DOS

IR

Vibrations