Geometry & MOs

Info

ID:	277073
PubChem CID:	103826608
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	341.9883
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	6.12
IP(EA), eV:	-9.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Br)C(=O)NCCCC(=O)N

DOS

IR

Vibrations