Geometry & MOs

Info

ID:	326422
PubChem CID:	126687520
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	702.282883
ΔH_f, kcal/mol:	-25.41
Dipole, Da:	5.94
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy-(6-prop-2-enoyloxynaphthalen-2-yl)methoxy]-3-propylphenyl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N2C=CC=CC2=N1)C(=O)C3=CC(=C(C(=C3)C)O)C

DOS

IR

Vibrations