Geometry & MOs

Info

ID:	310186
PubChem CID:	126576354
Reduced:	Cl2N4O8C41H48 (1)
Stoich.:	A2B4C8D41E48 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-240.76
Dipole, Da:	9.62
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-cyclobutyl-6-phenyloxane

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C6CC2[C@@]3(CCC(=O)C4OC5=C(C=C6)OC(=O)NCCOCCOCCNC(=O)CC7=CC=CC=C7NC8=C(C=CC=C8Cl)Cl)O

DOS

IR

Vibrations