Geometry & MOs

Info

ID:	258038
PubChem CID:	103150221
Reduced:	NSO2F3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	-228.25
Dipole, Da:	4.12
IP(EA), eV:	-9.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydroquinazolin-5-one

Drug info:

PubChemData

Smile

CC(C1=CSC(=N1)CCOCC(F)(F)F)O

DOS

IR

Vibrations