Geometry & MOs

Info

ID:	351583
PubChem CID:	127280475
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	7.29
IP(EA), eV:	-8.66(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations