Geometry & MOs

Info

ID:	251286
PubChem CID:	103102768
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	6.36
IP(EA), eV:	-9.55(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylamino]quinazoline-7-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=NC(=CC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations