Geometry & MOs

Info

ID:	363185
PubChem CID:	127310253
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	4.11
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C3=NC=NC(=C3)N4CCCC(C4)CO

DOS

IR

Vibrations