Geometry & MOs

Info

ID:	30345
PubChem CID:	841172
Reduced:	OCl2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	2.05
IP(EA), eV:	-9.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations