Geometry & MOs

Info

ID:	351738
PubChem CID:	127282138
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	4.44
IP(EA), eV:	-9.14(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations