Geometry & MOs

Info

ID:	195617
PubChem CID:	78712841
Reduced:	FN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	-205.28
Dipole, Da:	5.98
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl)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=C(C=CC(=C4)F)OC

DOS

IR

Vibrations