Geometry & MOs

Info

ID:	162785
PubChem CID:	57570850
Reduced:	O3N7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	447.95738
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	3.71
IP(EA), eV:	-8.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4-carboxy-3-nitrobenzene-6-id-1-yl)methyl]-5-methyl-2-nitrobenzoic acid;yttrium

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCN(CC1)C2=NC(=NC3=C2N=C(C=C3)C4=CC(=C(C=C4)OC)OC)N

DOS

IR

Vibrations