Geometry & MOs

Info

ID:	321647
PubChem CID:	126666723
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	397.155705
ΔH_f, kcal/mol:	102.49
Dipole, Da:	3.0
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[(2R,4S)-2-(phenylmethoxymethyl)oxan-4-yl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1CC1C2=CN(N=N2)CC3=NC4=C(N3C5CCOCC5)C6=CC=CC=C6N=C4

DOS

IR

Vibrations