Geometry & MOs

Info

ID:	434299
PubChem CID:	135174627
Reduced:	FPN5O5C10H13 (1)
Stoich.:	ABC5D5E10F13 (1)
Weight, g/mol:	295.194757
ΔH_f, kcal/mol:	-264.16
Dipole, Da:	3.5
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]pentan-3-one

Drug info:

PubChemData

Smile

C1C(OC(C1F)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O

DOS

IR

Vibrations