Geometry & MOs

Info

ID:	289040
PubChem CID:	104332310
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	327.06341
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	3.22
IP(EA), eV:	-9.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromocycloheptyl)-4-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCC(COC)Br

DOS

IR

Vibrations