Geometry & MOs

Info

ID:	58699
PubChem CID:	24714739
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	31.78
Dipole, Da:	4.52
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CNCC1=C(ON=C1C2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations