Geometry & MOs

Info

ID:	49556
PubChem CID:	11533235
Reduced:	N2F3O4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	489.1536
ΔH_f, kcal/mol:	-236.82
Dipole, Da:	7.26
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)C(F)(F)F)CN(CC3=C[N+](=CC=C3)[O-])C(=O)OC

DOS

IR

Vibrations