Geometry & MOs

Info

ID:	356543
PubChem CID:	127291765
Reduced:	N3O4C19H31 (1)
Stoich.:	A3B4C19D31 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-166.62
Dipole, Da:	3.11
IP(EA), eV:	-9.08(0.18)
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-(3,5-dimethylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C(C)OCC3CCCCO3)C

DOS

IR

Vibrations