Geometry & MOs

Info

ID:	251519
PubChem CID:	103104594
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	3.73
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-hydroxypropyl)-5-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)OC)C2=CC=CC=C2

DOS

IR

Vibrations