Geometry & MOs

Info

ID:	43581
PubChem CID:	10321494
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	449.277738
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	3.99
IP(EA), eV:	-8.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-methylidene-1-[3-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethoxy)propyl]indole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)/C=C/C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations