Geometry & MOs

Info

ID:	228166
PubChem CID:	87563567
Reduced:	FNO4C22H26 (2)
Stoich.:	ABC4D22E26 (2)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	-327.58
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,6-dichloropyridin-3-yl)methyl-methylamino]phenyl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=CC=CC(=C1CCC(=O)NOCC)CCCCCCOC2=CC(=CC(=C2)C(=O)N(CC3=CC=CC=C3)OC(F)F)C4=CC=CC=C4

DOS

IR

Vibrations