Geometry & MOs

Info

ID:	342180
PubChem CID:	127264893
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	332.101559
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	3.52
IP(EA), eV:	-8.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1C(CCO1)NC2=CC3=C(CCN3C(=O)CC4=CC=CC=C4)C=C2

DOS

IR

Vibrations