Geometry & MOs

Info

ID:	252054
PubChem CID:	103108782
Reduced:	FN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	287.140055
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	9.58
IP(EA), eV:	-9.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-heptyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC(=C(C=C1)[N+](=O)[O-])F

DOS

IR

Vibrations