Geometry & MOs

Info

ID:	129516
PubChem CID:	51072926
Reduced:	ClON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	8.23
Dipole, Da:	2.98
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenoxyethyl)-4-prop-2-enylpiperazine

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CNC(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations