Geometry & MOs

Info

ID:	130983
PubChem CID:	51138621
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	22.82
IP(EA), eV:	-7.75(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-[[4-(methylamino)phenyl]-(3,4,5-trimethoxyphenyl)methyl]furan-3-one

Drug info:

PubChemData

Smile

C[NH2+]C1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(COC3=O)[O-]

DOS

IR

Vibrations