Geometry & MOs

Info

ID:	252158
PubChem CID:	103109463
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	299.049526
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	3.03
IP(EA), eV:	-9.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(2-thiophen-3-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations