Geometry & MOs

Info

ID:	352351
PubChem CID:	127283435
Reduced:	SO2N7C15H23 (1)
Stoich.:	AB2C7D15E23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	11.94
Dipole, Da:	3.95
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCSC3=NN=NN3C)C

DOS

IR

Vibrations