Geometry & MOs

Info

ID:	228169
PubChem CID:	87563580
Reduced:	OCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	459.298473
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	6.17
IP(EA), eV:	-9.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(11R,14S)-11-methyl-14-propan-2-yl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]-2-(pyrrolidin-1-ylmethyl)phenol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1N(C)CC2=C(N=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations