Geometry & MOs

Info

ID:	352373
PubChem CID:	127283460
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	3.71
IP(EA), eV:	-9.18(-0.77)
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-ethylsulfonylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C(C)C)C

DOS

IR

Vibrations