Geometry & MOs

Info

ID:	67296
PubChem CID:	46506232
Reduced:	N4O7C21H28 (1)
Stoich.:	A4B7C21D28 (1)
Weight, g/mol:	575.254397
ΔH_f, kcal/mol:	-284.81
Dipole, Da:	8.13
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC

DOS

IR

Vibrations