Geometry & MOs

Info

ID:	293464
PubChem CID:	117390213
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	2.42
IP(EA), eV:	-8.53(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-3-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)O)C2CC(CN2C)CN

DOS

IR

Vibrations