Geometry & MOs

Info

ID:	352951
PubChem CID:	127284042
Reduced:	SO2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	7.98
Dipole, Da:	4.35
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,6-trimethyl-5-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-2H-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NC3=NC4=C(S3)CN(CC4)C

DOS

IR

Vibrations