Geometry & MOs

Info

ID:	65983
PubChem CID:	46484834
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	403.085432
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	6.6
IP(EA), eV:	-8.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3OC

DOS

IR

Vibrations