Geometry & MOs

Info

ID:	13616
PubChem CID:	396056
Reduced:	O2F3N6H17C28 (1)
Stoich.:	A2B3C6D17E28 (1)
Weight, g/mol:	526.136508
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

DOS

IR

Vibrations