Geometry & MOs

Info

ID:	124487
PubChem CID:	50884981
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	342.073953
ΔH_f, kcal/mol:	26.34
Dipole, Da:	6.22
IP(EA), eV:	-8.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=C1CN(C2=CC=CC=C2)C3=CC=CC=C3)O)CC=C)C#N

DOS

IR

Vibrations