Geometry & MOs

Info

ID:	252881
PubChem CID:	103114755
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	5.18
IP(EA), eV:	-9.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(3-hydroxybutan-2-yl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCC(C)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations