Geometry & MOs

Info

ID:	195616
PubChem CID:	78712840
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	412.14345
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	2.84
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl 4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations