Geometry & MOs

Info

ID:	166526
PubChem CID:	74703869
Reduced:	O3N5C24H28 (1)
Stoich.:	A3B5C24D28 (1)
Weight, g/mol:	511.237902
ΔH_f, kcal/mol:	-9.15
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975023
Charge, e:	1

Chem-info

IUPAC name:

1-[(6-methoxy-2-oxo-3H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(C2)C3=NC4=CC=CC=C4N3)C(=O)CC[NH+]5CCOCC5

DOS

IR

Vibrations