Geometry & MOs

Info

ID:	382583
PubChem CID:	134973839
Reduced:	NO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	446.285236
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	5.87
IP(EA), eV:	-9.09(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-1-methoxy-3-(1-methoxyprop-1-en-2-yl)-3a,7-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]-4H-inden-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C)C)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations