Geometry & MOs

Info

ID:	251520
PubChem CID:	103104603
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	5.6
IP(EA), eV:	-9.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-pentyl-5-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations