Geometry & MOs

Info

ID:	356623
PubChem CID:	127291849
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	91.21
Dipole, Da:	5.93
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-[[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations