Geometry & MOs

Info

ID:	68123
PubChem CID:	46507791
Reduced:	ClOSN4C15H15 (1)
Stoich.:	ABCD4E15F15 (1)
Weight, g/mol:	419.120524
ΔH_f, kcal/mol:	69.95
Dipole, Da:	8.06
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-1-[5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridin-2-yl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N/C(=C(/C#N)\C1=NC(=NO1)C2=CC=C(C=C2)Cl)/SC

DOS

IR

Vibrations