Geometry & MOs

Info

ID:	335028
PubChem CID:	127253834
Reduced:	NO3C15H18 (2)
Stoich.:	AB3C15D18 (2)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	-198.46
Dipole, Da:	4.25
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC2CCN(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations