Geometry & MOs

Info

ID:	196255
PubChem CID:	78803023
Reduced:	ON5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	85.23
Dipole, Da:	3.81
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC#N)C

DOS

IR

Vibrations