Geometry & MOs

Info

ID:	336101
PubChem CID:	127255108
Reduced:	OSN9H15C18 (1)
Stoich.:	ABC9D15E18 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	229.79
Dipole, Da:	8.45
IP(EA), eV:	-9.02(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2=N/C(=C/3\C=C4C=CC=CC4=N3)/N=N2)N5C=NNN5)C

DOS

IR

Vibrations