Geometry & MOs

Info

ID:	298014
PubChem CID:	117646056
Reduced:	OSN4C6H16 (1)
Stoich.:	ABC4D6E16 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	4.99
IP(EA), eV:	-9.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-3-(hydroxymethyl)quinoline-8-carboxamide

Drug info:

PubChemData

Smile

C(C[C@@H](C(=O)S)N)CNC(N)N

DOS

IR

Vibrations