Geometry & MOs

Info

ID:	335658
PubChem CID:	127254520
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	447.154269
ΔH_f, kcal/mol:	6.83
Dipole, Da:	5.49
IP(EA), eV:	-8.84(-0.63)
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-(1-methylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations