Geometry & MOs

Info

ID:	56121
PubChem CID:	17416564
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	331.083602
ΔH_f, kcal/mol:	59.12
Dipole, Da:	5.35
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations