Geometry & MOs

Info

ID:	41639
PubChem CID:	8146656
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	284.139902
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	6.77
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)N[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations