Geometry & MOs

Info

ID:	351747
PubChem CID:	127282147
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	7.31
IP(EA), eV:	-8.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCN(CC3)C(C)C(=O)NC4CCCC4

DOS

IR

Vibrations