Geometry & MOs

Info

ID:	147467
PubChem CID:	53787123
Reduced:	O2C31H50 (1)
Stoich.:	A2B31C50 (1)
Weight, g/mol:	844.730862
ΔH_f, kcal/mol:	-158.77
Dipole, Da:	5.99
IP(EA), eV:	-9.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-methoxy-2-(2-methoxypropan-2-yloxymethoxy)propane;2-methylbutan-2-ylbenzene

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)C=C(C)C(=O)O)C)C

DOS

IR

Vibrations