Geometry & MOs

Info

ID:	277681
PubChem CID:	103830341
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.07
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations