Geometry & MOs

Info

ID:	77823
PubChem CID:	49661635
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	486.206719
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	5.1
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations