Geometry & MOs

Info

ID:	70531
PubChem CID:	48413476
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	345.221641
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	6.15
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=C(N=C2C=CC(=CC2=C1)C)C

DOS

IR

Vibrations