Geometry & MOs

Info

ID:	40482
PubChem CID:	8144215
Reduced:	ON3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	346.155552
ΔH_f, kcal/mol:	64.69
Dipole, Da:	9.51
IP(EA), eV:	-9.76(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(R)-furan-2-yl(phenyl)methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1N=NN=N1)NNC2=CC=C(C=C2)C

DOS

IR

Vibrations