Geometry & MOs

Info

ID:	276466
PubChem CID:	103823512
Reduced:	SN2F4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-161.8
Dipole, Da:	4.13
IP(EA), eV:	-9.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=NC=CS1)NCC2=CC(=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations