Geometry & MOs

Info

ID:	352347
PubChem CID:	127283431
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	5.4
IP(EA), eV:	-8.84(-0.74)
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]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)C

DOS

IR

Vibrations