Geometry & MOs

Info

ID:	252082
PubChem CID:	103108932
Reduced:	ClF3N3O3C9H11 (1)
Stoich.:	AB3C3D3E9F11 (1)
Weight, g/mol:	301.119319
ΔH_f, kcal/mol:	-254.08
Dipole, Da:	1.62
IP(EA), eV:	-10.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(2-hydroxycycloheptyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCOC(F)(F)F)CCl

DOS

IR

Vibrations