Geometry & MOs

Info

ID:	374753
PubChem CID:	131342630
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	234.078011
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	1.94
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-cyclopropyl-[3-fluoro-2-(trifluoromethyl)pyridin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C21)C(CC#N)O)Cl

DOS

IR

Vibrations