Geometry & MOs

Info

ID:	311921
PubChem CID:	126599397
Reduced:	ClN2O2F3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-175.88
Dipole, Da:	1.63
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butan-2-yloxy-6-methyl-2-phenylmethoxypyridin-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=C2)C(C(O)O)(F)F)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations