Geometry & MOs

Info

ID:	187848
PubChem CID:	77634219
Reduced:	NF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	4.03
IP(EA), eV:	-10.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-5-(2-phenylethoxy)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations