Geometry & MOs

Info

ID:	338386
PubChem CID:	127259078
Reduced:	ClNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	4.42
IP(EA), eV:	-9.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylquinazolin-4-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCOC(=O)C)Cl

DOS

IR

Vibrations