Geometry & MOs

Info

ID:	77821
PubChem CID:	49661629
Reduced:	F2O3N4H24C27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	486.206719
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	2.01
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4F)CC5=CC=C(C=C5)F

DOS

IR

Vibrations