Geometry & MOs

Info

ID:	224864
PubChem CID:	85507136
Reduced:	ClSO2N6H13C16 (1)
Stoich.:	ABC2D6E13F16 (1)
Weight, g/mol:	322.148141
ΔH_f, kcal/mol:	66.1
Dipole, Da:	7.4
IP(EA), eV:	-9.39(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-N-[2-(4-fluorophenyl)ethenyl]-2-methylquinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CN3C(=O)N(N=N3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations