Geometry & MOs

Info

ID:	150333
PubChem CID:	53790021
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	350.209324
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	6.41
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7S,8S)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3-dicarbaldehyde

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+]#[C-]

DOS

IR

Vibrations