Geometry & MOs

Info

ID:	245296
PubChem CID:	99443263
Reduced:	F2O3N5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	455.113601
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	6.45
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations