Geometry & MOs

Info

ID:	218762
PubChem CID:	85089934
Reduced:	NSeO3C18H28 (1)
Stoich.:	ABC3D18E28 (1)
Weight, g/mol:	506.227768
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870950
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]-2-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CCCCC(=CC(=O)OCC)[Se](=O)[C]1[CH][CH][CH][C]1C(C)N(C)C

DOS

IR

Vibrations