Geometry & MOs

Info

ID:	154071
PubChem CID:	56313458
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	443.203191
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	1.72
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations