Geometry & MOs

Info

ID:	251522
PubChem CID:	103104616
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-48.2
Dipole, Da:	2.26
IP(EA), eV:	-9.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-phenyl-1-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations