Geometry & MOs

Info

ID:

329607

PubChem CID:

126739046

Reduced:

FO2N5C26H30 (1)

Stoich.:

AB2C5D26E30 (1)

Weight, g/mol:

511.255895

ΔHf, kcal/mol:

-37.4

Dipole, Da:

9.29

IP(EA), eV:

 -8.94(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-3-[2-(difluoromethyl)piperidin-1-yl]-5-fluoroquinoline-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=C4C(=C(C=C3)F)C=C(C=N4)N5CCCCO5

DOS

IR

Vibrations