Geometry & MOs

Info

ID:	139154
PubChem CID:	52483312
Reduced:	FN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	315.163457
ΔH_f, kcal/mol:	-195.39
Dipole, Da:	4.44
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenoxy)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1COC(=O)CN2C(=O)OC(=N2)C3=CC=C(C=C3)F)C)C(=O)C)C

DOS

IR

Vibrations