Geometry & MOs

Info

ID:	257390
PubChem CID:	103145723
Reduced:	BrO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	55.14
Dipole, Da:	3.34
IP(EA), eV:	-10.08(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3,5,8-trimethyl-6-nitroquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)N2C=C(N=N2)C(C)Br

DOS

IR

Vibrations