Geometry & MOs

Info

ID:	251518
PubChem CID:	103104574
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	11.98
IP(EA), eV:	-8.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-methoxypropyl)-5-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C(=O)N=CN1)OC

DOS

IR

Vibrations