Geometry & MOs

Info

ID:	251990
PubChem CID:	103108326
Reduced:	BrClO2N3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	5.25
IP(EA), eV:	-9.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations