Geometry & MOs

Info

ID:	271724
PubChem CID:	103689592
Reduced:	BrON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	418.91302
ΔH_f, kcal/mol:	33.25
Dipole, Da:	0.88
IP(EA), eV:	-8.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C2=NC=C(C=C2)Br)C

DOS

IR

Vibrations