Geometry & MOs

Info

ID:	52706
PubChem CID:	12015731
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	3.28
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S,5S,7R)-5-hydroxy-2,9-dimethyl-7-(methylcarbamoyl)decan-4-yl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=N2)CCO)C(=O)NC3=C(C=CN=C31)C

DOS

IR

Vibrations