Geometry & MOs

Info

ID:	161758
PubChem CID:	57392558
Reduced:	SN2H31C32 (1)
Stoich.:	AB2C31D32 (1)
Weight, g/mol:	443.12084
ΔH_f, kcal/mol:	110.92
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.427347
Charge, e:	0

Chem-info

IUPAC name:

4-N-[5-(3-bromophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=C1C=C(C(=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)/C=C/C5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations