Geometry & MOs

Info

ID:	143348
PubChem CID:	53196435
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	331.212058
ΔH_f, kcal/mol:	19.93
Dipole, Da:	6.52
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C

DOS

IR

Vibrations