Geometry & MOs

Info

ID:	123225
PubChem CID:	50838307
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	474.157102
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)C3=C(C(=C(N3C=N2)C)C(=O)NCC4=CC=CC=C4)C)C

DOS

IR

Vibrations