Geometry & MOs

Info

ID:	252052
PubChem CID:	103108759
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	5.28
IP(EA), eV:	-9.16(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations