Geometry & MOs

Info

ID:	224391
PubChem CID:	85342427
Reduced:	NO6C22H29 (1)
Stoich.:	AB6C22D29 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-264.54
Dipole, Da:	5.18
IP(EA), eV:	-9.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxymethyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C=CC1C(N(C(=O)O1)C(=O)OC(C)(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations