Geometry & MOs

Info

ID:	352348
PubChem CID:	127283432
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	2.7
IP(EA), eV:	-9.07(0.22)
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-(4-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCC3=CN(N=C3)C)C

DOS

IR

Vibrations