Geometry & MOs

Info

ID:	271744
PubChem CID:	103690425
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	5.21
IP(EA), eV:	-10.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-cyclopropylpropan-2-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NC(=O)C2=CC(=NC=C2)F

DOS

IR

Vibrations