Geometry & MOs

Info

ID:	404714
PubChem CID:	135069822
Reduced:	OF2N2H34C42 (1)
Stoich.:	AB2C2D34E42 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	2.17
Dipole, Da:	6.22
IP(EA), eV:	-8.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-methyl-1-(2-phenylethynyl)cyclobutan-1-ol

Drug info:

PubChemData

Smile

CN1C2=CC(=CC(=C2C3=C1C=C(C=C3)F)C4=CC=CC=C4)CCOCCC5=CC(=C6C7=C(C=C(C=C7)F)N(C6=C5)C)C8=CC=CC=C8

DOS

IR

Vibrations