Geometry & MOs

Info

ID:	428580
PubChem CID:	135167694
Reduced:	O2N3C23H39 (1)
Stoich.:	A2B3C23D39 (1)
Weight, g/mol:	406.30831
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	3.12
IP(EA), eV:	-8.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2-methylpropan-2-yl)oxy]butoxy]prop-1-ynyl]-3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]bicyclo[1.1.1]pentane

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(C1)OCCCCC2=NC=C(C=C2)OC3CN(C3)C(C)(C)C

DOS

IR

Vibrations