Geometry & MOs

Info

ID:	363783
PubChem CID:	127313423
Reduced:	ClO2N5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	6.6
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(1-methylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)Cl

DOS

IR

Vibrations