Geometry & MOs

Info

ID:	193903
PubChem CID:	78452642
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	249.033388
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	5.49
IP(EA), eV:	-9.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4-oxo-4aH-quinazolin-2-yl)methylsulfanyl]acetate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)(CCC2=CC=CC=C2)C(=O)[O-]

DOS

IR

Vibrations