Geometry & MOs

Info

ID:	153674
PubChem CID:	56312964
Reduced:	F3N3O4C21H30 (1)
Stoich.:	A3B3C4D21E30 (1)
Weight, g/mol:	409.0684
ΔH_f, kcal/mol:	-306.57
Dipole, Da:	5.86
IP(EA), eV:	-8.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dichloropyridin-2-yl)amino]ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCCN(CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations