Geometry & MOs

Info

ID:	228168
PubChem CID:	87563579
Reduced:	ClO2S2N10H33C34 (1)
Stoich.:	AB2C2D10E33F34 (1)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	75.78
Dipole, Da:	7.98
IP(EA), eV:	-8.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dichloropyridin-3-yl)methyl-methylamino]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C2=CN=C(S2)NC3=CN=CC(=N3)Cl)C.CC1=CC(=C(C(=C1)C)NC(=O)C2=CN=C(S2)NC3=NC=CN=C3)C

DOS

IR

Vibrations