Geometry & MOs

Info

ID:	130982
PubChem CID:	51138620
Reduced:	O7C21H22 (1)
Stoich.:	A7B21C22 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-234.19
Dipole, Da:	4.7
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(methylazaniumyl)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-2H-furan-3-olate

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC=C(C=C1)OC)CC(=O)C2=CC3=C(C(=C2)OC)OCO3

DOS

IR

Vibrations