Geometry & MOs

Info

ID:	158760
PubChem CID:	56468334
Reduced:	FON7H20C24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	463.112833
ΔH_f, kcal/mol:	101.48
Dipole, Da:	8.78
IP(EA), eV:	-8.88(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=NN(C(C3)C4=CC=CC=C4)C5=CC=CC=C5)F

DOS

IR

Vibrations