Geometry & MOs

Info

ID:	336138
PubChem CID:	127255145
Reduced:	O3N6H10C12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	393.132471
ΔH_f, kcal/mol:	25.61
Dipole, Da:	9.89
IP(EA), eV:	-9.07(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=CC3=NN=NN3C=C2

DOS

IR

Vibrations