Geometry & MOs

Info

ID:	329605
PubChem CID:	126738971
Reduced:	OF3N5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	491.269654
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	8.11
IP(EA), eV:	-9.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-5-fluoro-3-(4-hydroxyazepan-1-yl)quinoline-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)N(C)CC(F)F

DOS

IR

Vibrations