Geometry & MOs

Info

ID:	251607
PubChem CID:	103105270
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	3.63
IP(EA), eV:	-9.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxypropyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)C(C)C

DOS

IR

Vibrations