Geometry & MOs

Info

ID:	449949
PubChem CID:	135302771
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	230.22458
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	5.36
IP(EA), eV:	-8.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-methylbutan-2-yl)oxy-3,3,4-trimethylpentane

Drug info:

PubChemData

Smile

C1CN(CC2([C@H]1C(=O)N[C@@H](CO)C(=O)OCC3=CC=CC=C3)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations