Geometry & MOs

Info

ID:	370653
PubChem CID:	127339812
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	9.76
IP(EA), eV:	-8.86(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=CC(=C4C)C

DOS

IR

Vibrations