Geometry & MOs

Info

ID:	227235
PubChem CID:	87560749
Reduced:	O3C17H34 (1)
Stoich.:	A3B17C34 (1)
Weight, g/mol:	581.22051
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	3.39
IP(EA), eV:	-10.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(E)-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5H-quinazolin-6-ylidene]amino]oxyethyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CCCCC(CC(C)(CCCC)CCCC)C(=O)OO

DOS

IR

Vibrations