Geometry & MOs

Info

ID:	252504
PubChem CID:	103111826
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	34.64
Dipole, Da:	4.3
IP(EA), eV:	-8.92(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-[2-(butylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations