Geometry & MOs

Info

ID:	363881
PubChem CID:	127313538
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	4.39
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations