Geometry & MOs

Info

ID:	252520
PubChem CID:	103111963
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	285.168856
ΔH_f, kcal/mol:	5.62
Dipole, Da:	6.26
IP(EA), eV:	-9.34(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-(2-hydroxy-2,3-dimethylbutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C(=O)N=CN2)Cl

DOS

IR

Vibrations