Geometry & MOs

Info

ID:	30134
PubChem CID:	840227
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	33.07
Dipole, Da:	3.39
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylfuran-2-yl)-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC=CS3

DOS

IR

Vibrations