Geometry & MOs

Info

ID:	123017
PubChem CID:	50830504
Reduced:	O4N6H24C25 (1)
Stoich.:	A4B6C24D25 (1)
Weight, g/mol:	486.165168
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	3.48
IP(EA), eV:	-8.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=CC=CC=C43)CC(=O)NC5=CC=CC=C5OC

DOS

IR

Vibrations