Geometry & MOs

Info

ID:	188531
PubChem CID:	77728899
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	238.111756
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	5.88
IP(EA), eV:	-8.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-6-fluoro-8-methyl-4a,7,8,8a-tetrahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1C(NC(NC1=C2C=C(C=CC2=O)C3=CC=C(C=C3)O)N)C4=CC=CC(=C4)CO

DOS

IR

Vibrations