Geometry & MOs

Info

ID:	313377
PubChem CID:	126614166
Reduced:	O2C27H28 (1)
Stoich.:	A2B27C28 (1)
Weight, g/mol:	386.199428
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	1.92
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-16-octyl-6,17-dioxa-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC2=C(O1)C=CC3=C2C=CC4=C3C=CC5=C4C=C(O5)C

DOS

IR

Vibrations