Geometry & MOs

Info

ID:	425926
PubChem CID:	135132212
Reduced:	ClO2F3N7H15C23 (1)
Stoich.:	AB2C3D7E15F23 (1)
Weight, g/mol:	370.125275
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	6.27
IP(EA), eV:	-9.83(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)CC4=CC(=C(N=C4)N5N=CC(=N5)CO)Cl)C(F)(F)F

DOS

IR

Vibrations