Geometry & MOs

Info

ID:	132158
PubChem CID:	51314611
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	377.160023
ΔH_f, kcal/mol:	32.92
Dipole, Da:	2.63
IP(EA), eV:	-9.23(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations