Geometry & MOs

Info

ID:	139157
PubChem CID:	52483665
Reduced:	N4O6H16C19 (1)
Stoich.:	A4B6C16D19 (1)
Weight, g/mol:	430.109563
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	5.23
IP(EA), eV:	-9.31(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations