Geometry & MOs

Info

ID:	335691
PubChem CID:	127254553
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	44.84
Dipole, Da:	7.42
IP(EA), eV:	-10.36(-0.41)
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-(2-pyrazol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCC1=CC=NC=C1)N2C=NN=N2

DOS

IR

Vibrations