Geometry & MOs

Info

ID:	364316
PubChem CID:	127315415
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	-112.97
Dipole, Da:	6.28
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations