Geometry & MOs

Info

ID:	149481
PubChem CID:	53789154
Reduced:	FN2O7C34H39 (1)
Stoich.:	AB2C7D34E39 (1)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	-284.98
Dipole, Da:	4.84
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-7-methyl-1-benzofuran-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2C[C@@H](C([C@@H]2C3=CC=CC=C3OCCOC)C(=O)O)C4=CC5=C(C=C4)OCCO5)CC)F

DOS

IR

Vibrations