Geometry & MOs

Info

ID:	156269
PubChem CID:	56369905
Reduced:	FO2N4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	4.17
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)F)CC4=CC=CC=C4

DOS

IR

Vibrations