Geometry & MOs

Info

ID:	325194
PubChem CID:	126681899
Reduced:	N5H29C45 (1)
Stoich.:	A5B29C45 (1)
Weight, g/mol:	386.303224
ΔH_f, kcal/mol:	265.08
Dipole, Da:	1.97
IP(EA), eV:	-8.54(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxybutan-2-yl 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations