Geometry & MOs

Info

ID:	287829
PubChem CID:	104295853
Reduced:	NOF3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	278.123069
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	4.68
IP(EA), eV:	-9.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2,4-difluoro-5-methylphenyl)-2-pyridin-3-ylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C(CN)C2=CC(=CC=C2)F)O

DOS

IR

Vibrations