Geometry & MOs

Info

ID:	22174
PubChem CID:	596153
Reduced:	NO5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	285.063722
ΔH_f, kcal/mol:	-67.95
Dipole, Da:	4.71
IP(EA), eV:	-10.64(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-nitrobenzoyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations