Geometry & MOs

Info

ID:	252649
PubChem CID:	103112957
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	3.45
IP(EA), eV:	-10.29(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(2-hydroxypropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)NC(C)C)C(=O)OCC(C)C

DOS

IR

Vibrations