Geometry & MOs

Info

ID:	77822
PubChem CID:	49661631
Reduced:	FO3N4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	4.06
IP(EA), eV:	-8.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5=CC=C(C=C5)F

DOS

IR

Vibrations