Geometry & MOs

Info

ID:	252048
PubChem CID:	103108751
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	288.098918
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	7.71
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations