Geometry & MOs

Info

ID:	308088
PubChem CID:	125316908
Reduced:	FON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	4.47
IP(EA), eV:	-10.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-6-(4-oxo-1,2-dihydroquinazolin-3-yl)hexanamide

Drug info:

PubChemData

Smile

C1[C@H]2C(=NC(=NC2=O)C3=CC=C(C=C3)F)CN1

DOS

IR

Vibrations