Geometry & MOs

Info

ID:	51934
PubChem CID:	12014704
Reduced:	N2O5C27H34 (1)
Stoich.:	A2B5C27D34 (1)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	-142.88
Dipole, Da:	2.77
IP(EA), eV:	-8.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(3-phenylphenyl)methylidene]propanedioate

Drug info:

PubChemData

Smile

CC[C@@H](/C=N/N1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations