Geometry & MOs

Info

ID:	382458
PubChem CID:	134973623
Reduced:	N2O4C33H52 (1)
Stoich.:	A2B4C33D52 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	4.03
IP(EA), eV:	-9.89(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,6,7-trimethyl-1-(3-oxobutan-2-yl)-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CCC3(CCC(C3C1CCC4C2(CCC5C4(CCC(C5(C)C)O)C)C)C6(CCN=N6)C7CO7)C(=O)OC

DOS

IR

Vibrations