Geometry & MOs

Info

ID:	252130
PubChem CID:	103109344
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	346.99951
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	5.19
IP(EA), eV:	-9.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations