Geometry & MOs

Info

ID:	375118
PubChem CID:	131472556
Reduced:	ClN2O2F3C8H8 (1)
Stoich.:	AB2C2D3E8F8 (1)
Weight, g/mol:	256.02264
ΔH_f, kcal/mol:	-230.05
Dipole, Da:	3.89
IP(EA), eV:	-9.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)N)CCl)CO)OC(F)(F)F

DOS

IR

Vibrations