Geometry & MOs

Info

ID:	352673
PubChem CID:	127283762
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	3.95
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NC4=C(C5=C(S4)CCC5)C(=O)N3)C

DOS

IR

Vibrations