Geometry & MOs

Info

ID:	77799
PubChem CID:	49661559
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-30.59
Dipole, Da:	2.42
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-3-phenylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations