Geometry & MOs

Info

ID:	336034
PubChem CID:	127255041
Reduced:	N2F3O3H9C13 (1)
Stoich.:	A2B3C3D9E13 (1)
Weight, g/mol:	447.154269
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	5.67
IP(EA), eV:	-8.89(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations