Geometry & MOs

Info

ID:	334672
PubChem CID:	127253347
Reduced:	N3O3C16H21 (2)
Stoich.:	A3B3C16D21 (2)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	7.64
IP(EA), eV:	-8.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC1=NN(C=N1)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations