Geometry & MOs

Info

ID:	334799
PubChem CID:	127253474
Reduced:	N4O6C35H40 (1)
Stoich.:	A4B6C35D40 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	-152.07
Dipole, Da:	8.64
IP(EA), eV:	-8.04(-0.42)
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-pyrazol-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCN4C=CC5=CC=CC=C54)OC)OC)OC

DOS

IR

Vibrations