Geometry & MOs

Info

ID:	335956
PubChem CID:	127254963
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	445.120861
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	5.38
IP(EA), eV:	-8.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)CCN3C=CC4=C3C(=CC=C4)OC

DOS

IR

Vibrations