Geometry & MOs

Info

ID:	58935
PubChem CID:	24720865
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	402.103247
ΔH_f, kcal/mol:	-99.87
Dipole, Da:	4.16
IP(EA), eV:	-9.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations