Geometry & MOs

Info

ID:	154143
PubChem CID:	56313542
Reduced:	FN2O4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	394.03283
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	2.39
IP(EA), eV:	-8.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)/C=C/C(=O)NCC(C)(C)C3=CC=CC=C3F)OC

DOS

IR

Vibrations