Geometry & MOs

Info

ID:	429896
PubChem CID:	135169950
Reduced:	OF4N6H12C20 (1)
Stoich.:	AB4C6D12E20 (1)
Weight, g/mol:	477.081551
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	11.12
IP(EA), eV:	-8.95(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-quinolin-5-yliminobutanoyl]amino]-3-chloropyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=CC(=C(N1)C#N)F)NC(=O)C2=C(N(N=C2)C3=CN=CC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations