Geometry & MOs

Info

ID:	176859
PubChem CID:	76105923
Reduced:	F3O3N4C21H23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	-218.23
Dipole, Da:	11.69
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dioxo-3,7-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-morpholin-4-ylbutanamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2CN(CC2F)C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5F)N)F)N

DOS

IR

Vibrations