Geometry & MOs

Info

ID:	231696
PubChem CID:	87574463
Reduced:	NO4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	487.13533
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	4.3
IP(EA), eV:	-8.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=C(C3=C(N2)C=C(C=C3)C(=O)OC)C4CCCCC4)OC[C@@H]5CO5

DOS

IR

Vibrations