Geometry & MOs

Info

ID:	391672
PubChem CID:	135008078
Reduced:	BClSi2O3C18H38 (1)
Stoich.:	ABC2D3E18F38 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-354.57
Dipole, Da:	3.53
IP(EA), eV:	-8.65(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-methyl-3-(2-methyl-2-phenylcyclopropyl)-4,5,6,7-tetrahydroisoindole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\[Si](C)(C)Cl)/CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations