Geometry & MOs

Info

ID:	321603
PubChem CID:	126666669
Reduced:	BrO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	323.04334
ΔH_f, kcal/mol:	24.5
Dipole, Da:	2.38
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-N-[(1S,3R)-3-fluorocyclopentyl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

CC1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Br)CC5=NOC(=C5)C

DOS

IR

Vibrations