Geometry & MOs

Info

ID:	359294
PubChem CID:	127298226
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	5.2
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)NC3=NN(C=C3)CCN4CCOCC4

DOS

IR

Vibrations