Geometry & MOs

Info

ID:	178644
PubChem CID:	76361060
Reduced:	NO2F3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-196.63
Dipole, Da:	5.82
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C)NC(=O)C=C(C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations