Geometry & MOs

Info

ID:	352355
PubChem CID:	127283442
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	5.15
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3)C

DOS

IR

Vibrations