Geometry & MOs

Info

ID:	16640
PubChem CID:	474143
Reduced:	ON5C18H24 (2)
Stoich.:	AB5C18D24 (2)
Weight, g/mol:	652.396171
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	3.3
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis[3-[[4-(propylamino)-5,8-dihydroquinazolin-2-yl]amino]propyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC2=C1CC=CC2)NCCCNC(=O)C3=CC(=CC=C3)C(=O)NCCCNC4=NC5=C(CC=CC5)C(=N4)NCCC

DOS

IR

Vibrations