Geometry & MOs

Info

ID:	334604
PubChem CID:	127253279
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	455.184506
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	2.99
IP(EA), eV:	-9.66(-0.83)
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-[2-(4-hydroxyphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@@H](C(=O)N2)CC(=O)NCCC3=CN=CN3

DOS

IR

Vibrations