Geometry & MOs

Info

ID:	342487
PubChem CID:	127265642
Reduced:	N7C19H23 (1)
Stoich.:	A7B19C23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	122.91
Dipole, Da:	3.52
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[3-(2-methoxyphenyl)prop-2-enyl]piperazin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC3=C(NN=C3)C4=CN=CC=C4

DOS

IR

Vibrations