Geometry & MOs

Info

ID:	280288
PubChem CID:	103848231
Reduced:	BrFNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	7.35
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(5-methoxypentyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC3=C2C=C(C=C3)F)Br

DOS

IR

Vibrations