Geometry & MOs

Info

ID:	123014
PubChem CID:	50830392
Reduced:	FO3N6H19C27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	454.175339
ΔH_f, kcal/mol:	14.37
Dipole, Da:	4.92
IP(EA), eV:	-8.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C(C3=O)N(C5=CC=CC=C54)CC(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations