Geometry & MOs

Info

ID:	196256
PubChem CID:	78803024
Reduced:	O3N5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-5.61
Dipole, Da:	5.67
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)NC4=CC=CC(=C4)C(=O)C)C

DOS

IR

Vibrations