Geometry & MOs

Info

ID:	43399
PubChem CID:	10321233
Reduced:	N2O3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	444.158626
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	7.01
IP(EA), eV:	-8.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(E)-3-phenylprop-2-enoyl]-2,4-dihydroquinazoline-2,4-dicarbonitrile

Drug info:

PubChemData

Smile

COCCOC1=CC(=C(C=C1)OCC(CNCCNC(=O)NC2=CC=C(C=C2)O)O)C#N

DOS

IR

Vibrations