Geometry & MOs

Info

ID:	182146
PubChem CID:	76853174
Reduced:	ClN2O5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	-186.15
Dipole, Da:	6.25
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-3,4-dihydronaphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)O)CNC2=CC(=C(C=C2)C(=O)OCCN3CCOCC3)O

DOS

IR

Vibrations