Geometry & MOs

Info

ID:	77819
PubChem CID:	49661626
Reduced:	F2O3N4H24C27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	486.206719
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	3.4
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations