Geometry & MOs

Info

ID:	28440
PubChem CID:	827615
Reduced:	NO3H13C22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	37.25
Dipole, Da:	4.67
IP(EA), eV:	-9.33(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=C3C4=C(C5=CC=CC=C5C3=O)ON=C24

DOS

IR

Vibrations