Geometry & MOs

Info

ID:	125074
PubChem CID:	50909046
Reduced:	NO10C28H31 (1)
Stoich.:	AB10C28D31 (1)
Weight, g/mol:	428.005806
ΔH_f, kcal/mol:	-397.81
Dipole, Da:	2.4
IP(EA), eV:	-9.11(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;(2-carboxy-6-nitrophenyl)mercury

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@]6([C@H]([C@@H]([C@H]([C@@H](O5)O6)O)N(C)C)O)C)O)OC)O

DOS

IR

Vibrations