Geometry & MOs

Info

ID:	352661
PubChem CID:	127283750
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	21.03
Dipole, Da:	1.45
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(C)C3=NN=C(O3)C4=CC=CS4)C

DOS

IR

Vibrations