Geometry & MOs

Info

ID:	418310
PubChem CID:	135104174
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	4.23
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridin-2-ylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=CN=C1CN2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations