Geometry & MOs

Info

ID:	429839
PubChem CID:	135169892
Reduced:	ClFN8C23H24 (1)
Stoich.:	ABC8D23E24 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	111.5
Dipole, Da:	4.6
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-5-methyl-3-quinolin-5-yliminohexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CC1)N=CC=C2)N=C(CF)/C(=C\N)/C(=C)NC3=CC(=C(N=C3)N/N=C\C=N)Cl

DOS

IR

Vibrations