Geometry & MOs

Info

ID:	382364
PubChem CID:	134973465
Reduced:	NO2H19C24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	35.52
Dipole, Da:	3.28
IP(EA), eV:	-8.84(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one

Drug info:

PubChemData

Smile

C1C2[C@@H]3C4C1C4[C@H]2C(=C3CN5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7

DOS

IR

Vibrations