Geometry & MOs

Info

ID:	245295
PubChem CID:	99443262
Reduced:	ClN3O5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	417.161246
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	2.55
IP(EA), eV:	-8.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

DOS

IR

Vibrations