Geometry & MOs

Info

ID:	336312
PubChem CID:	127255319
Reduced:	N3O5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	1.56
IP(EA), eV:	-8.58(-0.99)
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-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CCN2C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations