Geometry & MOs

Info

ID:	334792
PubChem CID:	127253467
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	456.190989
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	5.52
IP(EA), eV:	-8.11(-1.13)
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-(pyrimidin-2-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCCC4=CN(C5=CC=CC=C54)C)C)C

DOS

IR

Vibrations