Geometry & MOs

Info

ID:	44561
PubChem CID:	10504076
Reduced:	O8C25H30 (1)
Stoich.:	A8B25C30 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-266.05
Dipole, Da:	5.71
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6S)-3,7-dimethyl-2,6-bis(phenylmethoxymethyl)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione

Drug info:

PubChemData

Smile

CC(=CC1(COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OC1)OCC(=O)O)C

DOS

IR

Vibrations