Geometry & MOs

Info

ID:	77815
PubChem CID:	49661615
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	-139.27
Dipole, Da:	3.78
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations