Geometry & MOs

Info

ID:	199180
PubChem CID:	79210280
Reduced:	FO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	338.03784
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	3.74
IP(EA), eV:	-10.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC12C(=O)NC(=O)N2)C(=O)C3=CN=C(C=C3)F

DOS

IR

Vibrations