Geometry & MOs

Info

ID:	415393
PubChem CID:	135088387
Reduced:	ClFNO3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	319.194757
ΔH_f, kcal/mol:	-193.68
Dipole, Da:	5.77
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC(=CC(=C3)Cl)F)O

DOS

IR

Vibrations