Geometry & MOs

Info

ID:	136438
PubChem CID:	52043304
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	458.24819
ΔH_f, kcal/mol:	9.23
Dipole, Da:	5.75
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-3-yl]-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)C)C

DOS

IR

Vibrations