Geometry & MOs

Info

ID:	251521
PubChem CID:	103104614
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.73
IP(EA), eV:	-9.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(methylamino)-2-oxoethyl]-5-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCN1C(=C(N=N1)C(=O)OCC)C2=CC=CC=C2

DOS

IR

Vibrations