Geometry & MOs

Info

ID:	277509
PubChem CID:	103829109
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	310.99055
ΔH_f, kcal/mol:	-135.39
Dipole, Da:	2.41
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCC(=O)C2=CC=CC=C21

DOS

IR

Vibrations