Geometry & MOs

Info

ID:	330667
PubChem CID:	127248074
Reduced:	FO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.4
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)/C=C/C3=CC=CC=C3F)O

DOS

IR

Vibrations