Geometry & MOs

Info

ID:	165441
PubChem CID:	74549203
Reduced:	NOC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	289.118832
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129897
Charge, e:	-1

Chem-info

IUPAC name:

4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1CC([NH2+]C1)C2=CC=C(C=C2)O

DOS

IR

Vibrations