Geometry & MOs

Info

ID:	67295
PubChem CID:	46506229
Reduced:	O5N6C21H24 (1)
Stoich.:	A5B6C21D24 (1)
Weight, g/mol:	448.195799
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	6.75
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)OC

DOS

IR

Vibrations