Geometry & MOs

Info

ID:	252511
PubChem CID:	103111853
Reduced:	BrO2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	245.11757
ΔH_f, kcal/mol:	56.47
Dipole, Da:	4.39
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-(3-fluoropropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NC=NC=C2Br

DOS

IR

Vibrations