Geometry & MOs

Info

ID:	218358
PubChem CID:	85089224
Reduced:	Cl2O2N3C23H31 (1)
Stoich.:	A2B2C3D23E31 (1)
Weight, g/mol:	452.147118
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	12.34
IP(EA), eV:	-8.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-pyran-3-yl]methyl acetate

Drug info:

PubChemData

Smile

C[N+](C)(CC1=CC(=NNC2=CC=C(C=C2)Cl)C=CC1=O)COCC3CCCCC3.[Cl-]

DOS

IR

Vibrations