Geometry & MOs

Info

ID:	307750
PubChem CID:	125308838
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	498.041709
ΔH_f, kcal/mol:	-30.16
Dipole, Da:	1.23
IP(EA), eV:	-8.27(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=C3C=CC=CC3=NC2)OC

DOS

IR

Vibrations