Geometry & MOs

Info

ID:	129381
PubChem CID:	51072448
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	1.29
IP(EA), eV:	-8.5(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N1CCCC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations