Geometry & MOs

Info

ID:	182552
PubChem CID:	76905198
Reduced:	N2F3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-220.6
Dipole, Da:	5.09
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)butan-2-ylamino]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=NO)N)OCCCOCC(F)(F)F

DOS

IR

Vibrations