Geometry & MOs

Info

ID:	251644
PubChem CID:	103105601
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	3.65
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-methoxyphenyl)-1-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations