Geometry & MOs

Info

ID:	330383
PubChem CID:	127247370
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	337.120861
ΔH_f, kcal/mol:	6.94
Dipole, Da:	3.24
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCN(C)CC3=CC=CC=N3

DOS

IR

Vibrations