Geometry & MOs

Info

ID:	270669
PubChem CID:	103637555
Reduced:	BrClOSN3H7C13 (1)
Stoich.:	ABCDE3F7G13 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	46.02
Dipole, Da:	2.96
IP(EA), eV:	-9.11(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)C3=C(N=CC(=C3)Br)Cl)SC=N2

DOS

IR

Vibrations