Geometry & MOs

Info

ID:	424457
PubChem CID:	135122732
Reduced:	O2F3N3C19H20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	212.132491
ΔH_f, kcal/mol:	-157.37
Dipole, Da:	5.05
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluoropyridin-2-yl)methylamino]-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=C(N=C1)N(C)C2=CC=C(C=C2)OC(F)(F)F)N(C)C)/C=O

DOS

IR

Vibrations