Geometry & MOs

Info

ID:	423245
PubChem CID:	135119165
Reduced:	ClFON3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	3.53
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(3-phenoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations