Geometry & MOs

Info

ID:	129900
PubChem CID:	51074226
Reduced:	F3O3N5C12H14 (1)
Stoich.:	A3B3C5D12E14 (1)
Weight, g/mol:	299.088161
ΔH_f, kcal/mol:	-259.83
Dipole, Da:	1.13
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC(F)(F)F

DOS

IR

Vibrations