Geometry & MOs

Info

ID:	375117
PubChem CID:	131472553
Reduced:	BrClSO4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	256.02264
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	7.88
IP(EA), eV:	-10.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-3-(chloromethyl)-5-(trifluoromethoxy)pyridin-4-yl]methanol

Drug info:

PubChemData

Smile

C1COCC1COC2=CC(=C(C=C2)S(=O)(=O)Cl)Br

DOS

IR

Vibrations