Geometry & MOs

Info

ID:	245741
PubChem CID:	103023173
Reduced:	ClOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	199.148476
ΔH_f, kcal/mol:	-88.32
Dipole, Da:	4.6
IP(EA), eV:	-9.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-fluoro-4-(2-methylpyrazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=C(C(=CC=C1)Cl)Cl)OC

DOS

IR

Vibrations