Geometry & MOs

Info

ID:	158768
PubChem CID:	56468359
Reduced:	FO3N7H18C20 (1)
Stoich.:	AB3C7D18E20 (1)
Weight, g/mol:	469.166251
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	7.38
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CCC(=O)N3CC(=O)NC4=CC=CC=C43)F

DOS

IR

Vibrations