Geometry & MOs

Info

ID:	176623
PubChem CID:	76075409
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	576.381475
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	3.16
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2-methyl-9-phenylmethoxy-14,17-dioxapentacyclo[11.7.1.02,18.05,21.06,11]henicosa-6,8,10-trien-8-yl)oxy]decan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCC(CN3C(=CC=C3O)O)N(C=O)O

DOS

IR

Vibrations