Geometry & MOs

Info

ID:	279564
PubChem CID:	103844349
Reduced:	ClON3C14H24 (1)
Stoich.:	ABC3D14E24 (1)
Weight, g/mol:	276.144948
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	4.82
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[[6-(trifluoromethyl)pyridin-2-yl]amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC1=NC(=C(C(=N1)Cl)C)NCC(CC)(CC)CO

DOS

IR

Vibrations