Geometry & MOs

Info

ID:	149592
PubChem CID:	53789266
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	289.014185
ΔH_f, kcal/mol:	-79.9
Dipole, Da:	5.47
IP(EA), eV:	-8.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-6-nitrobenzoyl chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2CCN(CC2)C(=O)C3=CNN=C3)OC4CCCC4

DOS

IR

Vibrations