Geometry & MOs

Info

ID:	360537
PubChem CID:	127301182
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-154.01
Dipole, Da:	3.62
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations