Geometry & MOs

Info

ID:	154372
PubChem CID:	56313791
Reduced:	BrNOF2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	375.123049
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	2.75
IP(EA), eV:	-9.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)F)Br)C2=CC=CC=C2F

DOS

IR

Vibrations