Geometry & MOs

Info

ID:	166798
PubChem CID:	74734929
Reduced:	OF3N3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	457.245095
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	4.15
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl-(pyridin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)NCC4=CC=CO4

DOS

IR

Vibrations