Geometry & MOs

Info

ID:	242632
PubChem CID:	97857634
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	2.47
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(5-bromoquinolin-8-yl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COC[C@@]1(CNCC2=C3C(=C(C=C2)Br)C=CC=N3)O

DOS

IR

Vibrations