Geometry & MOs

Info

ID:	287884
PubChem CID:	104297387
Reduced:	BrNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	322.99572
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	3.7
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-fluoro-4-hydroxyphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(C)NC(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations