Geometry & MOs

Info

ID:	177793
PubChem CID:	76230908
Reduced:	ION3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	449.057693
ΔH_f, kcal/mol:	71.6
Dipole, Da:	6.99
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-N-[[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=CC3=CC=CC=C3I

DOS

IR

Vibrations