Geometry & MOs

Info

ID:	338491
PubChem CID:	127259183
Reduced:	N2O5H12C13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	417.93507
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	5.97
IP(EA), eV:	-9.51(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dibromo-2-ethylquinazolin-4-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2

DOS

IR

Vibrations