Geometry & MOs

Info

ID:	252525
PubChem CID:	103112022
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	7.53
Dipole, Da:	4.75
IP(EA), eV:	-8.74(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-(2-phenylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C=CC=N2)OC

DOS

IR

Vibrations