Geometry & MOs

Info

ID:	83874
PubChem CID:	49862081
Reduced:	N2O3H18C24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	400.172168
ΔH_f, kcal/mol:	-10.27
Dipole, Da:	1.99
IP(EA), eV:	-8.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-thiophen-2-ylquinolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)/C=C/C4=CC(=CC=C4)O

DOS

IR

Vibrations