Geometry & MOs

Info

ID:	154373
PubChem CID:	56313794
Reduced:	FN3O5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	349.04775
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	4.84
IP(EA), eV:	-9.98(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(2-fluorophenyl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations