Geometry & MOs

Info

ID:	334079
PubChem CID:	127252631
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	6.53
IP(EA), eV:	-8.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=C(C=CC(=C21)OC)OC)C(=O)N3CCCC4=C[C@H]5C[C@H](C43)CN6C5CCCC6

DOS

IR

Vibrations