Geometry & MOs

Info

ID:	438312
PubChem CID:	135228045
Reduced:	N5C31H39 (1)
Stoich.:	A5B31C39 (1)
Weight, g/mol:	393.02769
ΔH_f, kcal/mol:	122.65
Dipole, Da:	7.52
IP(EA), eV:	-7.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3-fluoropyridin-2-yl)-N-phenylquinolin-4-amine

Drug info:

PubChemData

Smile

CCC(C)/C(=C\C=C(\C)/C=C)/C(C1=CC=CC=C1)N2C3=C(C=CC(=C3)C4=C(N=NN4C)C)NC2(C)C

DOS

IR

Vibrations