Geometry & MOs

Info

ID:	363722
PubChem CID:	127313340
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	381.193153
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	8.68
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations