Geometry & MOs

Info

ID:	252164
PubChem CID:	103109527
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	257.093104
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	3.4
IP(EA), eV:	-9.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CCC(C)(C)N

DOS

IR

Vibrations