Geometry & MOs

Info

ID:	252411
PubChem CID:	103111182
Reduced:	O3N4C10H18 (1)
Stoich.:	A3B4C10D18 (1)
Weight, g/mol:	296.108482
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	2.38
IP(EA), eV:	-10.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(2,5-difluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCCO)CN

DOS

IR

Vibrations