Geometry & MOs

Info

ID:	437241
PubChem CID:	135216749
Reduced:	FO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	407.339944
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	2.33
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methyl-3-[7-[(2-methylpropan-2-yl)oxy]heptyl]-1-bicyclo[1.1.1]pentanyl]-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)COC1=C(C=C(C=N1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)CC=O)C)F

DOS

IR

Vibrations