Geometry & MOs

Info

ID:	211692
PubChem CID:	81049653
Reduced:	ClO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	288.231397
ΔH_f, kcal/mol:	-211.16
Dipole, Da:	2.16
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopentylpiperazin-1-yl)-2,6-dimethylpyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=CC=C(C=C2)OC(F)F)O

DOS

IR

Vibrations