Geometry & MOs

Info

ID:	178011
PubChem CID:	76262255
Reduced:	NF3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-246.98
Dipole, Da:	3.91
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-oxo-4aH-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N(CC=CC3=CC=CC=C3)C(=O)COCC(F)(F)F

DOS

IR

Vibrations