Geometry & MOs

Info

ID:	181804
PubChem CID:	76794479
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	502.365825
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	1.85
IP(EA), eV:	-8.58(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11,18-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl)propan-2-yl acetate

Drug info:

PubChemData

Smile

CCCCC1CCC(C2C1NCC(C2=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations