Geometry & MOs

Info

ID:	330653
PubChem CID:	127248060
Reduced:	FN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-142.31
Dipole, Da:	3.04
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC1(CN2CCOCC2)O)C(=O)/C=C/C3=CC=CC=C3F

DOS

IR

Vibrations