Geometry & MOs

Info

ID:	67289
PubChem CID:	46506219
Reduced:	N3O6C18H19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	7.62
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)NCC3=CC=CO3)OC

DOS

IR

Vibrations