Geometry & MOs

Info

ID:	41881
PubChem CID:	8147631
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	367.177016
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	10.16
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O

DOS

IR

Vibrations