Geometry & MOs

Info

ID:	360285
PubChem CID:	127300928
Reduced:	ON6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	0.42
Dipole, Da:	10.46
IP(EA), eV:	-8.72(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylsulfonylpiperidin-3-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations