Geometry & MOs

Info

ID:	166358
PubChem CID:	74676806
Reduced:	FN3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-49.12
Dipole, Da:	6.9
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxycarbonyl-2-oxo-3-[2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinazolin-4-olate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)N(C2=O)CC3=C(N=CC=C3)OC4=CC(=CC=C4)F)C=C1

DOS

IR

Vibrations