Geometry & MOs

Info

ID:	70645
PubChem CID:	48413651
Reduced:	F2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-163.36
Dipole, Da:	6.09
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC

DOS

IR

Vibrations