Geometry & MOs

Info

ID:	69371
PubChem CID:	46530879
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	457.076466
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	5.4
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-dimethoxyphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N(C)CCOC4=CC=CC=C4F)C

DOS

IR

Vibrations