Geometry & MOs

Info

ID:	306174
PubChem CID:	125002192
Reduced:	F2N2O3C26H30 (1)
Stoich.:	A2B2C3D26E30 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-195.5
Dipole, Da:	0.36
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-[4-(dimethylamino)phenyl]-3-hydroxypropan-2-yl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[C@@]2(CCCN(C2)C(=O)C3=C(C=C(C=C3)F)F)COC4=CC=CC=C4

DOS

IR

Vibrations