Geometry & MOs

Info

ID:	364991
PubChem CID:	127316641
Reduced:	NSO3C20H29 (1)
Stoich.:	ABC3D20E29 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	2.79
IP(EA), eV:	-9.37(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CCS(=O)(=O)C2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations