Geometry & MOs

Info

ID:	252641
PubChem CID:	103112895
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-120.75
Dipole, Da:	3.0
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-[(3-hydroxyphenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN=C(N1C(C)C(=O)N(C)CC)SCC(=O)O

DOS

IR

Vibrations