Geometry & MOs

Info

ID:	449749
PubChem CID:	135301138
Reduced:	OSF3N7H16C18 (1)
Stoich.:	ABC3D7E16F18 (1)
Weight, g/mol:	256.147473
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	5.33
IP(EA), eV:	-8.56(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(fluoromethyl)-4-methyl-1-phenylmethoxypentane-1,2-diol

Drug info:

PubChemData

Smile

CCS(=O)C1=C(N=C(C=C1)N2C=NC=N2)C3=NC4=CC(=NC(=C4N3C)C)C(F)(F)F

DOS

IR

Vibrations